Browse entries in the PDBbind-CN Database
HEADER 5LDK_COMPLEX COMPND 5LDK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 115 SER GLU PRO GLN ARG LEU PHE PHE ALA ILE ASP LEU PRO SEQRES 2 B 115 ALA GLU ILE ARG GLU GLN ILE ILE HIS TRP ARG ALA LYS SEQRES 3 B 115 HIS PHE PRO PRO GLU ALA GLY ARG PRO VAL ALA ALA ASP SEQRES 4 B 115 ASN LEU HIS LEU THR LEU ALA PHE LEU GLY GLU VAL SER SEQRES 5 B 115 ALA GLU LYS GLU LYS ALA LEU SER LEU LEU ALA GLY ARG SEQRES 6 B 115 ILE ARG GLN PRO GLY PHE THR LEU THR LEU ASP ASP ALA SEQRES 7 B 115 GLY GLN TRP LEU ARG SER ARG VAL VAL TRP LEU GLY MET SEQRES 8 B 115 ARG GLN PRO PRO ARG GLY LEU ILE GLN LEU ALA ASN MET SEQRES 9 B 115 LEU ARG SER GLN ALA ALA ARG SER GLY CYS PHE SEQRES 1 B 57 ARG PRO PHE HIS PRO HIS ILE THR LEU LEU ARG ASP ALA SEQRES 2 B 57 SER GLU ALA VAL THR ILE PRO PRO PRO GLY PHE ASN TRP SEQRES 3 B 57 SER TYR ALA VAL THR GLU PHE THR LEU TYR ALA SER SER SEQRES 4 B 57 PHE ALA ARG GLY ARG THR ARG TYR THR PRO LEU LYS ARG SEQRES 5 B 57 TRP ALA LEU THR GLN HET ATP A 267 43 ATOM 1 N SER B 2 88.551 34.727 39.534 1.00 77.78 N ATOM 2 CA SER B 2 88.949 33.668 40.457 1.00 80.13 C ATOM 3 C SER B 2 88.726 34.062 41.921 1.00 84.93 C ATOM 4 O SER B 2 88.072 35.068 42.219 1.00 82.33 O ATOM 5 CB SER B 2 90.416 33.289 40.231 1.00 76.10 C ATOM 6 OG SER B 2 90.868 32.385 41.223 1.00 75.68 O ATOM 7 HG SER B 2 91.816 32.158 41.053 1.00 0.00 H ATOM 8 HN3 SER B 2 89.110 35.582 39.728 1.00 0.00 H ATOM 9 HN2 SER B 2 87.540 34.936 39.663 1.00 0.00 H ATOM 10 HN1 SER B 2 88.720 34.415 38.556 1.00 0.00 H ATOM 11 N GLU B 3 89.267 33.251 42.827 1.00 84.45 N ATOM 12 CA GLU B 3 89.235 33.530 44.261 1.00 77.33 C ATOM 13 C GLU B 3 90.263 34.619 44.579 1.00 71.64 C ATOM 14 O GLU B 3 91.018 35.027 43.693 1.00 71.08 O ATOM 15 CB GLU B 3 89.560 32.247 45.044 1.00 76.97 C ATOM 16 CG GLU B 3 88.550 31.110 44.877 1.00 79.78 C ATOM 17 CD GLU B 3 87.342 31.242 45.798 1.00 86.59 C ATOM 18 OE1 GLU B 3 87.137 32.333 46.375 1.00 79.76 O ATOM 19 OE2 GLU B 3 86.596 30.247 45.948 1.00 87.44 O ATOM 20 H GLU B 3 89.733 32.381 42.500 1.00 0.00 H ATOM 21 N PRO B 4 90.292 35.110 45.833 1.00 67.49 N ATOM 22 CA PRO B 4 91.405 35.993 46.201 1.00 58.84 C ATOM 23 C PRO B 4 92.702 35.203 46.333 1.00 58.82 C ATOM 24 O PRO B 4 92.670 34.053 46.776 1.00 57.43 O ATOM 25 CB PRO B 4 90.989 36.535 47.570 1.00 57.44 C ATOM 26 CG PRO B 4 90.027 35.523 48.107 1.00 63.75 C ATOM 27 CD PRO B 4 89.277 35.040 46.900 1.00 70.14 C ATOM 28 N GLN B 5 93.824 35.807 45.948 1.00 51.28 N ATOM 29 CA GLN B 5 95.111 35.130 46.038 1.00 41.11 C ATOM 30 C GLN B 5 96.089 35.836 46.978 1.00 39.89 C ATOM 31 O GLN B 5 95.993 37.046 47.227 1.00 38.24 O ATOM 32 CB GLN B 5 95.736 34.986 44.649 1.00 47.61 C ATOM 33 CG GLN B 5 94.861 34.264 43.641 1.00 47.61 C ATOM 34 CD GLN B 5 95.497 34.182 42.263 1.00 51.39 C ATOM 35 OE1 GLN B 5 95.326 35.077 41.433 1.00 51.77 O ATOM 36 NE2 GLN B 5 96.229 33.100 42.011 1.00 47.84 N ATOM 37 HE22 GLN B 5 96.346 32.370 42.742 1.00 0.00 H ATOM 38 HE21 GLN B 5 96.684 32.985 41.083 1.00 0.00 H ATOM 39 H GLN B 5 93.781 36.778 45.577 1.00 0.00 H ATOM 40 N ARG B 6 97.029 35.057 47.496 1.00 37.18 N ATOM 41 CA ARG B 6 98.097 35.570 48.335 1.00 38.31 C ATOM 42 C ARG B 6 99.278 35.941 47.428 1.00 33.41 C ATOM 43 O ARG B 6 99.929 35.054 46.880 1.00 29.29 O ATOM 44 CB ARG B 6 98.509 34.472 49.313 1.00 35.83 C ATOM 45 CG ARG B 6 99.396 34.920 50.442 1.00 36.65 C ATOM 46 CD ARG B 6 99.767 33.713 51.292 1.00 44.69 C ATOM 47 NE ARG B 6 99.950 34.084 52.685 1.00 42.50 N ATOM 48 CZ ARG B 6 98.938 34.358 53.496 1.00 48.96 C ATOM 49 NH1 ARG B 6 99.165 34.683 54.757 1.00 58.99 N ATOM 50 NH2 ARG B 6 97.691 34.300 53.042 1.00 48.16 N ATOM 51 HE ARG B 6 100.918 34.137 53.062 1.00 0.00 H ATOM 52 HH12 ARG B 6 98.368 34.897 55.390 1.00 0.00 H ATOM 53 HH11 ARG B 6 100.140 34.724 55.116 1.00 0.00 H ATOM 54 HH22 ARG B 6 96.896 34.515 53.677 1.00 0.00 H ATOM 55 HH21 ARG B 6 97.510 34.040 52.051 1.00 0.00 H ATOM 56 H ARG B 6 97.000 34.037 47.293 1.00 0.00 H ATOM 57 N LEU B 7 99.560 37.238 47.282 1.00 34.13 N ATOM 58 CA LEU B 7 100.516 37.708 46.265 1.00 29.40 C ATOM 59 C LEU B 7 101.759 38.395 46.820 1.00 25.94 C ATOM 60 O LEU B 7 101.717 39.027 47.867 1.00 29.62 O ATOM 61 CB LEU B 7 99.817 38.671 45.298 1.00 26.83 C ATOM 62 CG LEU B 7 98.577 38.089 44.612 1.00 28.77 C ATOM 63 CD1 LEU B 7 97.948 39.086 43.676 1.00 29.04 C ATOM 64 CD2 LEU B 7 98.952 36.831 43.865 1.00 27.21 C ATOM 65 H LEU B 7 99.094 37.932 47.901 1.00 0.00 H ATOM 66 N PHE B 8 102.876 38.285 46.101 1.00 29.51 N ATOM 67 CA PHE B 8 104.049 39.105 46.411 1.00 22.60 C ATOM 68 C PHE B 8 104.929 39.350 45.180 1.00 20.62 C ATOM 69 O PHE B 8 104.878 38.586 44.211 1.00 21.11 O ATOM 70 CB PHE B 8 104.878 38.484 47.537 1.00 24.79 C ATOM 71 CG PHE B 8 105.530 37.177 47.174 1.00 22.16 C ATOM 72 CD1 PHE B 8 106.865 37.135 46.794 1.00 23.28 C ATOM 73 CD2 PHE B 8 104.823 35.992 47.235 1.00 25.52 C ATOM 74 CE1 PHE B 8 107.477 35.939 46.466 1.00 22.68 C ATOM 75 CE2 PHE B 8 105.432 34.786 46.907 1.00 28.29 C ATOM 76 CZ PHE B 8 106.768 34.766 46.518 1.00 26.81 C ATOM 77 H PHE B 8 102.915 37.609 45.311 1.00 0.00 H ATOM 78 N PHE B 9 105.728 40.413 45.228 1.00 20.60 N ATOM 79 CA PHE B 9 106.708 40.694 44.175 1.00 21.85 C ATOM 80 C PHE B 9 108.086 40.230 44.645 1.00 22.57 C ATOM 81 O PHE B 9 108.408 40.370 45.825 1.00 19.59 O ATOM 82 CB PHE B 9 106.802 42.195 43.908 1.00 22.96 C ATOM 83 CG PHE B 9 105.606 42.782 43.197 1.00 23.68 C ATOM 84 CD1 PHE B 9 105.466 42.654 41.833 1.00 19.30 C ATOM 85 CD2 PHE B 9 104.647 43.511 43.900 1.00 25.47 C ATOM 86 CE1 PHE B 9 104.371 43.224 41.165 1.00 19.42 C ATOM 87 CE2 PHE B 9 103.557 44.078 43.249 1.00 25.10 C ATOM 88 CZ PHE B 9 103.423 43.932 41.872 1.00 26.69 C ATOM 89 H PHE B 9 105.655 41.063 46.036 1.00 0.00 H ATOM 90 N ALA B 10 108.918 39.734 43.726 1.00 16.12 N ATOM 91 CA ALA B 10 110.236 39.255 44.117 1.00 20.10 C ATOM 92 C ALA B 10 111.270 39.293 42.991 1.00 18.13 C ATOM 93 O ALA B 10 110.932 39.419 41.813 1.00 16.73 O ATOM 94 CB ALA B 10 110.144 37.841 44.678 1.00 18.67 C ATOM 95 H ALA B 10 108.624 39.690 42.729 1.00 0.00 H ATOM 96 N ILE B 11 112.526 39.146 43.381 1.00 16.18 N ATOM 97 CA ILE B 11 113.606 38.959 42.428 1.00 20.12 C ATOM 98 C ILE B 11 114.093 37.524 42.531 1.00 20.91 C ATOM 99 O ILE B 11 114.134 36.943 43.628 1.00 17.23 O ATOM 100 CB ILE B 11 114.731 39.966 42.690 1.00 21.36 C ATOM 101 CG1 ILE B 11 114.302 41.342 42.156 1.00 19.00 C ATOM 102 CG2 ILE B 11 116.004 39.534 42.022 1.00 20.86 C ATOM 103 CD1 ILE B 11 115.201 42.478 42.620 1.00 26.76 C ATOM 104 H ILE B 11 112.746 39.165 44.397 1.00 0.00 H ATOM 105 N ASP B 12 114.419 36.938 41.379 1.00 19.90 N ATOM 106 CA ASP B 12 114.806 35.546 41.314 1.00 16.76 C ATOM 107 C ASP B 12 116.300 35.387 41.152 1.00 20.64 C ATOM 108 O ASP B 12 117.007 36.350 40.828 1.00 22.74 O ATOM 109 CB ASP B 12 114.045 34.824 40.193 1.00 19.51 C ATOM 110 CG ASP B 12 112.601 34.508 40.587 1.00 24.01 C ATOM 111 OD1 ASP B 12 112.398 33.746 41.554 1.00 24.01 O ATOM 112 OD2 ASP B 12 111.673 35.030 39.952 1.00 23.55 O ATOM 113 H ASP B 12 114.394 37.497 40.503 1.00 0.00 H ATOM 114 N LEU B 13 116.782 34.171 41.381 1.00 17.94 N ATOM 115 CA LEU B 13 118.201 33.875 41.240 1.00 19.88 C ATOM 116 C LEU B 13 118.429 32.988 40.025 1.00 22.62 C ATOM 117 O LEU B 13 117.586 32.151 39.719 1.00 20.62 O ATOM 118 CB LEU B 13 118.713 33.172 42.496 1.00 24.60 C ATOM 119 CG LEU B 13 118.791 34.128 43.685 1.00 26.17 C ATOM 120 CD1 LEU B 13 117.512 34.060 44.486 1.00 27.81 C ATOM 121 CD2 LEU B 13 120.010 33.851 44.553 1.00 28.61 C ATOM 122 H LEU B 13 116.131 33.412 41.668 1.00 0.00 H ATOM 123 N PRO B 14 119.571 33.159 39.332 1.00 19.39 N ATOM 124 CA PRO B 14 119.844 32.289 38.176 1.00 22.14 C ATOM 125 C PRO B 14 120.097 30.887 38.692 1.00 23.10 C ATOM 126 O PRO B 14 120.500 30.753 39.851 1.00 20.54 O ATOM 127 CB PRO B 14 121.148 32.857 37.571 1.00 20.64 C ATOM 128 CG PRO B 14 121.387 34.184 38.244 1.00 19.59 C ATOM 129 CD PRO B 14 120.650 34.128 39.582 1.00 23.45 C ATOM 130 N ALA B 15 119.884 29.873 37.858 1.00 23.23 N ATOM 131 CA ALA B 15 119.951 28.481 38.291 1.00 25.84 C ATOM 132 C ALA B 15 121.293 28.092 38.918 1.00 24.70 C ATOM 133 O ALA B 15 121.329 27.416 39.942 1.00 24.78 O ATOM 134 CB ALA B 15 119.624 27.551 37.114 1.00 28.56 C ATOM 135 H ALA B 15 119.662 30.079 36.863 1.00 0.00 H ATOM 136 N GLU B 16 122.397 28.525 38.316 1.00 21.76 N ATOM 137 CA GLU B 16 123.716 28.139 38.818 1.00 29.87 C ATOM 138 C GLU B 16 123.950 28.621 40.253 1.00 24.81 C ATOM 139 O GLU B 16 124.412 27.865 41.100 1.00 28.29 O ATOM 140 CB GLU B 16 124.822 28.676 37.910 1.00 30.10 C ATOM 141 CG GLU B 16 125.852 27.631 37.476 1.00 49.55 C ATOM 142 CD GLU B 16 126.539 26.910 38.637 1.00 46.68 C ATOM 143 OE1 GLU B 16 127.666 27.303 39.009 1.00 49.80 O ATOM 144 OE2 GLU B 16 125.964 25.938 39.174 1.00 48.27 O ATOM 145 H GLU B 16 122.322 29.142 37.482 1.00 0.00 H ATOM 146 N ILE B 17 123.627 29.877 40.529 1.00 19.89 N ATOM 147 CA ILE B 17 123.811 30.403 41.876 1.00 23.14 C ATOM 148 C ILE B 17 122.871 29.707 42.856 1.00 20.48 C ATOM 149 O ILE B 17 123.253 29.404 43.973 1.00 22.60 O ATOM 150 CB ILE B 17 123.614 31.922 41.921 1.00 22.89 C ATOM 151 CG1 ILE B 17 124.702 32.588 41.068 1.00 25.02 C ATOM 152 CG2 ILE B 17 123.670 32.433 43.364 1.00 21.79 C ATOM 153 CD1 ILE B 17 124.383 33.973 40.705 1.00 25.16 C ATOM 154 H ILE B 17 123.241 30.489 39.782 1.00 0.00 H ATOM 155 N ARG B 18 121.648 29.452 42.425 1.00 19.56 N ATOM 156 CA ARG B 18 120.686 28.707 43.236 1.00 25.41 C ATOM 157 C ARG B 18 121.327 27.371 43.650 1.00 27.29 C ATOM 158 O ARG B 18 121.279 26.974 44.814 1.00 27.14 O ATOM 159 CB ARG B 18 119.414 28.487 42.410 1.00 26.88 C ATOM 160 CG ARG B 18 118.210 27.905 43.117 1.00 34.93 C ATOM 161 CD ARG B 18 117.112 27.566 42.073 1.00 35.96 C ATOM 162 NE ARG B 18 116.806 28.719 41.221 1.00 35.52 N ATOM 163 CZ ARG B 18 116.511 28.646 39.919 1.00 43.28 C ATOM 164 NH1 ARG B 18 116.278 29.758 39.219 1.00 41.37 N ATOM 165 NH2 ARG B 18 116.445 27.469 39.305 1.00 38.26 N ATOM 166 HE ARG B 18 116.819 29.661 41.661 1.00 0.00 H ATOM 167 HH12 ARG B 18 116.049 29.697 38.206 1.00 0.00 H ATOM 168 HH11 ARG B 18 116.326 30.686 39.686 1.00 0.00 H ATOM 169 HH22 ARG B 18 116.215 27.423 38.292 1.00 0.00 H ATOM 170 HH21 ARG B 18 116.624 26.594 39.838 1.00 0.00 H ATOM 171 H ARG B 18 121.362 29.790 41.484 1.00 0.00 H ATOM 172 N GLU B 19 121.974 26.708 42.698 1.00 27.92 N ATOM 173 CA GLU B 19 122.622 25.431 42.976 1.00 32.23 C ATOM 174 C GLU B 19 123.839 25.587 43.895 1.00 29.94 C ATOM 175 O GLU B 19 124.053 24.784 44.808 1.00 30.80 O ATOM 176 CB GLU B 19 123.027 24.749 41.674 1.00 34.05 C ATOM 177 CG GLU B 19 123.697 23.402 41.879 1.00 42.30 C ATOM 178 CD GLU B 19 122.707 22.260 42.035 1.00 46.92 C ATOM 179 OE1 GLU B 19 121.491 22.519 42.213 1.00 53.35 O ATOM 180 OE2 GLU B 19 123.153 21.093 41.972 1.00 54.15 O ATOM 181 H GLU B 19 122.019 27.106 41.738 1.00 0.00 H ATOM 182 N GLN B 20 124.635 26.624 43.663 1.00 24.06 N ATOM 183 CA GLN B 20 125.762 26.899 44.537 1.00 24.91 C ATOM 184 C GLN B 20 125.297 27.145 45.953 1.00 27.68 C ATOM 185 O GLN B 20 125.970 26.746 46.916 1.00 25.53 O ATOM 186 CB GLN B 20 126.529 28.124 44.062 1.00 26.07 C ATOM 187 CG GLN B 20 127.601 27.837 43.011 1.00 32.04 C ATOM 188 CD GLN B 20 128.220 29.115 42.471 1.00 26.72 C ATOM 189 OE1 GLN B 20 129.389 29.402 42.709 1.00 36.41 O ATOM 190 NE2 GLN B 20 127.430 29.893 41.756 1.00 31.77 N ATOM 191 HE22 GLN B 20 126.445 29.611 41.578 1.00 0.00 H ATOM 192 HE21 GLN B 20 127.792 30.788 41.370 1.00 0.00 H ATOM 193 H GLN B 20 124.450 27.244 42.849 1.00 0.00 H ATOM 194 N ILE B 21 124.156 27.822 46.081 1.00 20.92 N ATOM 195 CA ILE B 21 123.640 28.168 47.401 1.00 25.38 C ATOM 196 C ILE B 21 123.214 26.923 48.199 1.00 26.31 C ATOM 197 O ILE B 21 123.561 26.785 49.362 1.00 25.42 O ATOM 198 CB ILE B 21 122.459 29.152 47.299 1.00 23.65 C ATOM 199 CG1 ILE B 21 122.954 30.570 46.976 1.00 22.64 C ATOM 200 CG2 ILE B 21 121.665 29.171 48.577 1.00 21.83 C ATOM 201 CD1 ILE B 21 121.792 31.518 46.640 1.00 20.55 C ATOM 202 H ILE B 21 123.628 28.106 45.231 1.00 0.00 H ATOM 203 N ILE B 22 122.462 26.021 47.580 1.00 22.55 N ATOM 204 CA ILE B 22 122.051 24.815 48.276 1.00 29.45 C ATOM 205 C ILE B 22 123.232 23.895 48.615 1.00 30.70 C ATOM 206 O ILE B 22 123.231 23.250 49.658 1.00 32.57 O ATOM 207 CB ILE B 22 120.960 24.052 47.514 1.00 28.88 C ATOM 208 CG1 ILE B 22 121.449 23.633 46.135 1.00 36.77 C ATOM 209 CG2 ILE B 22 119.708 24.918 47.391 1.00 35.35 C ATOM 210 CD1 ILE B 22 120.454 22.752 45.390 1.00 40.52 C ATOM 211 H ILE B 22 122.167 26.178 46.595 1.00 0.00 H ATOM 212 N HIS B 23 124.238 23.841 47.750 1.00 34.08 N ATOM 213 CA HIS B 23 125.427 23.039 48.044 1.00 33.35 C ATOM 214 C HIS B 23 126.155 23.604 49.250 1.00 31.23 C ATOM 215 O HIS B 23 126.577 22.861 50.136 1.00 35.71 O ATOM 216 CB HIS B 23 126.376 22.984 46.853 1.00 34.47 C ATOM 217 CG HIS B 23 125.905 22.090 45.752 1.00 43.46 C ATOM 218 ND1 HIS B 23 124.597 21.669 45.643 1.00 48.23 N ATOM 219 CD2 HIS B 23 126.570 21.532 44.713 1.00 44.03 C ATOM 220 CE1 HIS B 23 124.476 20.891 44.581 1.00 45.08 C ATOM 221 NE2 HIS B 23 125.657 20.793 43.999 1.00 46.81 N ATOM 222 H HIS B 23 124.181 24.372 46.858 1.00 0.00 H ATOM 223 N TRP B 24 126.302 24.923 49.276 1.00 26.60 N ATOM 224 CA TRP B 24 126.876 25.623 50.418 1.00 24.77 C ATOM 225 C TRP B 24 126.045 25.369 51.687 1.00 32.41 C ATOM 226 O TRP B 24 126.593 25.230 52.781 1.00 34.22 O ATOM 227 CB TRP B 24 126.948 27.117 50.096 1.00 21.53 C ATOM 228 CG TRP B 24 127.457 28.036 51.196 1.00 26.56 C ATOM 229 CD1 TRP B 24 128.757 28.354 51.472 1.00 26.56 C ATOM 230 CD2 TRP B 24 126.657 28.797 52.110 1.00 24.30 C ATOM 231 NE1 TRP B 24 128.811 29.254 52.518 1.00 29.49 N ATOM 232 CE2 TRP B 24 127.534 29.534 52.928 1.00 27.62 C ATOM 233 CE3 TRP B 24 125.278 28.915 52.326 1.00 28.71 C ATOM 234 CZ2 TRP B 24 127.077 30.370 53.960 1.00 26.14 C ATOM 235 CZ3 TRP B 24 124.827 29.750 53.342 1.00 29.53 C ATOM 236 CH2 TRP B 24 125.725 30.470 54.138 1.00 29.50 C ATOM 237 HE1 TRP B 24 129.679 29.654 52.928 1.00 0.00 H ATOM 238 H TRP B 24 125.996 25.477 48.451 1.00 0.00 H ATOM 239 N ARG B 25 124.725 25.313 51.543 1.00 28.29 N ATOM 240 CA ARG B 25 123.842 25.162 52.702 1.00 32.91 C ATOM 241 C ARG B 25 123.955 23.758 53.299 1.00 33.83 C ATOM 242 O ARG B 25 124.158 23.596 54.505 1.00 35.63 O ATOM 243 CB ARG B 25 122.392 25.444 52.314 1.00 31.08 C ATOM 244 CG ARG B 25 121.391 25.226 53.454 1.00 34.03 C ATOM 245 CD ARG B 25 119.965 25.498 53.016 1.00 27.74 C ATOM 246 NE ARG B 25 119.500 24.557 51.997 1.00 29.13 N ATOM 247 CZ ARG B 25 118.435 24.758 51.229 1.00 29.19 C ATOM 248 NH1 ARG B 25 118.085 23.852 50.328 1.00 36.65 N ATOM 249 NH2 ARG B 25 117.719 25.867 51.361 1.00 25.35 N ATOM 250 HE ARG B 25 120.037 23.676 51.866 1.00 0.00 H ATOM 251 HH12 ARG B 25 117.251 24.011 49.728 1.00 0.00 H ATOM 252 HH11 ARG B 25 118.644 22.982 50.221 1.00 0.00 H ATOM 253 HH22 ARG B 25 116.885 26.023 50.759 1.00 0.00 H ATOM 254 HH21 ARG B 25 117.991 26.581 52.067 1.00 0.00 H ATOM 255 H ARG B 25 124.312 25.378 50.591 1.00 0.00 H ATOM 256 N ALA B 26 123.828 22.748 52.440 1.00 33.85 N ATOM 257 CA ALA B 26 123.997 21.360 52.849 1.00 39.50 C ATOM 258 C ALA B 26 125.355 21.155 53.513 1.00 37.84 C ATOM 259 O ALA B 26 125.499 20.345 54.420 1.00 44.64 O ATOM 260 CB ALA B 26 123.840 20.430 51.655 1.00 32.85 C ATOM 261 H ALA B 26 123.601 22.957 51.447 1.00 0.00 H ATOM 262 N LYS B 27 126.343 21.921 53.073 1.00 38.22 N ATOM 263 CA LYS B 27 127.699 21.751 53.554 1.00 37.50 C ATOM 264 C LYS B 27 127.872 22.323 54.952 1.00 34.36 C ATOM 265 O LYS B 27 128.605 21.769 55.765 1.00 39.67 O ATOM 266 CB LYS B 27 128.680 22.394 52.570 1.00 34.68 C ATOM 267 CG LYS B 27 130.145 22.203 52.897 1.00 37.81 C ATOM 268 CD LYS B 27 131.020 22.793 51.788 1.00 43.35 C ATOM 269 CE LYS B 27 132.465 22.957 52.240 1.00 47.77 C ATOM 270 NZ LYS B 27 133.279 23.664 51.204 1.00 56.05 N ATOM 271 HZ1 LYS B 27 133.267 23.114 50.321 1.00 0.00 H ATOM 272 HZ2 LYS B 27 132.876 24.607 51.032 1.00 0.00 H ATOM 273 HZ3 LYS B 27 134.258 23.761 51.541 1.00 0.00 H ATOM 274 H LYS B 27 126.141 22.659 52.368 1.00 0.00 H ATOM 275 N HIS B 28 127.199 23.429 55.240 1.00 35.32 N ATOM 276 CA HIS B 28 127.409 24.118 56.514 1.00 33.64 C ATOM 277 C HIS B 28 126.246 24.016 57.512 1.00 35.30 C ATOM 278 O HIS B 28 126.355 24.503 58.637 1.00 38.76 O ATOM 279 CB HIS B 28 127.723 25.596 56.276 1.00 32.22 C ATOM 280 CG HIS B 28 129.003 25.841 55.544 1.00 33.75 C ATOM 281 ND1 HIS B 28 129.048 26.114 54.193 1.00 36.16 N ATOM 282 CD2 HIS B 28 130.284 25.882 55.983 1.00 33.81 C ATOM 283 CE1 HIS B 28 130.306 26.303 53.828 1.00 32.03 C ATOM 284 NE2 HIS B 28 131.074 26.168 54.894 1.00 34.88 N ATOM 285 H HIS B 28 126.516 23.810 54.554 1.00 0.00 H ATOM 286 N PHE B 29 125.131 23.414 57.114 1.00 35.18 N ATOM 287 CA PHE B 29 123.985 23.348 58.019 1.00 39.54 C ATOM 288 C PHE B 29 123.382 21.951 58.138 1.00 43.58 C ATOM 289 O PHE B 29 122.792 21.430 57.181 1.00 41.72 O ATOM 290 CB PHE B 29 122.912 24.385 57.644 1.00 39.61 C ATOM 291 CG PHE B 29 123.389 25.816 57.737 1.00 36.06 C ATOM 292 CD1 PHE B 29 123.832 26.491 56.608 1.00 35.73 C ATOM 293 CD2 PHE B 29 123.407 26.482 58.953 1.00 39.80 C ATOM 294 CE1 PHE B 29 124.278 27.803 56.690 1.00 30.28 C ATOM 295 CE2 PHE B 29 123.863 27.802 59.042 1.00 34.52 C ATOM 296 CZ PHE B 29 124.296 28.459 57.908 1.00 33.24 C ATOM 297 H PHE B 29 125.074 22.992 56.165 1.00 0.00 H ATOM 298 N PRO B 30 123.530 21.340 59.328 1.00 46.08 N ATOM 299 CA PRO B 30 122.913 20.043 59.625 1.00 48.04 C ATOM 300 C PRO B 30 121.399 20.189 59.619 1.00 45.39 C ATOM 301 O PRO B 30 120.917 21.283 59.905 1.00 44.34 O ATOM 302 CB PRO B 30 123.409 19.730 61.045 1.00 48.54 C ATOM 303 CG PRO B 30 123.779 21.056 61.629 1.00 50.33 C ATOM 304 CD PRO B 30 124.281 21.878 60.477 1.00 44.48 C ATOM 305 N PRO B 31 120.671 19.112 59.274 1.00 42.71 N ATOM 306 CA PRO B 31 119.207 19.131 59.208 1.00 43.57 C ATOM 307 C PRO B 31 118.592 19.635 60.504 1.00 47.59 C ATOM 308 O PRO B 31 117.558 20.306 60.463 1.00 48.99 O ATOM 309 CB PRO B 31 118.852 17.664 58.977 1.00 46.37 C ATOM 310 CG PRO B 31 120.026 17.128 58.200 1.00 41.54 C ATOM 311 CD PRO B 31 121.227 17.830 58.798 1.00 44.91 C ATOM 312 N GLU B 32 119.235 19.333 61.629 1.00 48.54 N ATOM 313 CA GLU B 32 118.816 19.836 62.933 1.00 48.55 C ATOM 314 C GLU B 32 118.696 21.357 62.932 1.00 52.16 C ATOM 315 O GLU B 32 117.814 21.917 63.590 1.00 54.61 O ATOM 316 CB GLU B 32 119.821 19.431 64.026 1.00 52.27 C ATOM 317 CG GLU B 32 120.163 17.948 64.101 1.00 48.22 C ATOM 318 CD GLU B 32 121.415 17.576 63.331 1.00 45.33 C ATOM 319 OE1 GLU B 32 121.276 17.051 62.212 1.00 46.94 O ATOM 320 OE2 GLU B 32 122.542 17.796 63.835 1.00 47.53 O ATOM 321 H GLU B 32 120.069 18.714 61.577 1.00 0.00 H ATOM 322 N ALA B 33 119.583 22.023 62.194 1.00 48.22 N ATOM 323 CA ALA B 33 119.710 23.482 62.279 1.00 51.43 C ATOM 324 C ALA B 33 118.496 24.278 61.780 1.00 41.98 C ATOM 325 O ALA B 33 118.389 25.473 62.034 1.00 40.27 O ATOM 326 CB ALA B 33 120.977 23.953 61.585 1.00 47.26 C ATOM 327 H ALA B 33 120.200 21.496 61.543 1.00 0.00 H ATOM 328 N GLY B 34 117.594 23.617 61.067 1.00 43.89 N ATOM 329 CA GLY B 34 116.398 24.272 60.577 1.00 38.85 C ATOM 330 C GLY B 34 115.861 23.618 59.320 1.00 39.81 C ATOM 331 O GLY B 34 116.501 22.740 58.734 1.00 43.03 O ATOM 332 H GLY B 34 117.748 22.610 60.856 1.00 0.00 H ATOM 333 N ARG B 35 114.677 24.045 58.898 1.00 35.72 N ATOM 334 CA ARG B 35 114.068 23.482 57.705 1.00 39.66 C ATOM 335 C ARG B 35 114.537 24.241 56.465 1.00 40.28 C ATOM 336 O ARG B 35 114.387 25.464 56.381 1.00 36.41 O ATOM 337 CB ARG B 35 112.547 23.535 57.813 1.00 45.73 C ATOM 338 CG ARG B 35 111.814 22.846 56.680 1.00 50.52 C ATOM 339 CD ARG B 35 110.299 22.971 56.856 1.00 64.54 C ATOM 340 NE ARG B 35 109.568 22.272 55.798 1.00 76.65 N ATOM 341 CZ ARG B 35 109.230 22.823 54.635 1.00 77.84 C ATOM 342 NH1 ARG B 35 109.555 24.085 54.381 1.00 76.45 N ATOM 343 NH2 ARG B 35 108.569 22.117 53.724 1.00 76.81 N ATOM 344 HE ARG B 35 109.296 21.282 55.966 1.00 0.00 H ATOM 345 HH12 ARG B 35 109.292 24.517 53.472 1.00 0.00 H ATOM 346 HH11 ARG B 35 110.073 24.641 55.091 1.00 0.00 H ATOM 347 HH22 ARG B 35 108.308 22.553 52.817 1.00 0.00 H ATOM 348 HH21 ARG B 35 108.313 21.128 53.918 1.00 0.00 H ATOM 349 H ARG B 35 114.180 24.790 59.427 1.00 0.00 H ATOM 350 N PRO B 36 115.102 23.517 55.495 1.00 42.23 N ATOM 351 CA PRO B 36 115.632 24.176 54.296 1.00 41.83 C ATOM 352 C PRO B 36 114.534 24.566 53.314 1.00 41.16 C ATOM 353 O PRO B 36 113.545 23.843 53.157 1.00 40.72 O ATOM 354 CB PRO B 36 116.535 23.103 53.679 1.00 39.27 C ATOM 355 CG PRO B 36 115.906 21.800 54.096 1.00 41.48 C ATOM 356 CD PRO B 36 115.254 22.050 55.447 1.00 42.01 C ATOM 357 N VAL B 37 114.708 25.719 52.674 1.00 39.99 N ATOM 358 CA VAL B 37 113.815 26.157 51.615 1.00 30.20 C ATOM 359 C VAL B 37 114.215 25.390 50.357 1.00 33.61 C ATOM 360 O VAL B 37 115.406 25.225 50.089 1.00 38.06 O ATOM 361 CB VAL B 37 113.946 27.685 51.402 1.00 33.38 C ATOM 362 CG1 VAL B 37 113.063 28.176 50.266 1.00 29.89 C ATOM 363 CG2 VAL B 37 113.610 28.422 52.687 1.00 28.94 C ATOM 364 H VAL B 37 115.509 26.326 52.940 1.00 0.00 H ATOM 365 N ALA B 38 113.238 24.885 49.603 1.00 35.21 N ATOM 366 CA ALA B 38 113.553 24.120 48.395 1.00 37.21 C ATOM 367 C ALA B 38 114.197 25.045 47.377 1.00 37.90 C ATOM 368 O ALA B 38 113.798 26.209 47.271 1.00 37.54 O ATOM 369 CB ALA B 38 112.302 23.478 47.823 1.00 42.22 C ATOM 370 H ALA B 38 112.246 25.036 49.875 1.00 0.00 H ATOM 371 N ALA B 39 115.187 24.541 46.640 1.00 30.76 N ATOM 372 CA ALA B 39 115.976 25.369 45.732 1.00 36.59 C ATOM 373 C ALA B 39 115.093 26.234 44.830 1.00 37.36 C ATOM 374 O ALA B 39 115.405 27.401 44.578 1.00 35.73 O ATOM 375 CB ALA B 39 116.929 24.511 44.896 1.00 33.52 C ATOM 376 H ALA B 39 115.404 23.527 46.714 1.00 0.00 H ATOM 377 N ASP B 40 113.977 25.667 44.382 1.00 34.10 N ATOM 378 CA ASP B 40 113.067 26.370 43.489 1.00 36.25 C ATOM 379 C ASP B 40 112.386 27.554 44.165 1.00 34.51 C ATOM 380 O ASP B 40 111.877 28.447 43.490 1.00 34.23 O ATOM 381 CB ASP B 40 112.002 25.408 42.942 1.00 39.13 C ATOM 382 CG ASP B 40 112.503 24.578 41.768 1.00 51.45 C ATOM 383 OD1 ASP B 40 113.587 24.892 41.227 1.00 50.75 O ATOM 384 OD2 ASP B 40 111.800 23.620 41.373 1.00 55.03 O ATOM 385 H ASP B 40 113.748 24.696 44.677 1.00 0.00 H ATOM 386 N ASN B 41 112.373 27.559 45.493 1.00 33.60 N ATOM 387 CA ASN B 41 111.629 28.575 46.234 1.00 33.25 C ATOM 388 C ASN B 41 112.507 29.680 46.805 1.00 28.84 C ATOM 389 O ASN B 41 112.021 30.606 47.457 1.00 31.63 O ATOM 390 CB ASN B 41 110.779 27.935 47.339 1.00 35.49 C ATOM 391 CG ASN B 41 109.583 27.170 46.788 1.00 37.72 C ATOM 392 OD1 ASN B 41 109.184 27.361 45.641 1.00 33.37 O ATOM 393 ND2 ASN B 41 108.999 26.310 47.613 1.00 38.74 N ATOM 394 HD22 ASN B 41 109.370 26.179 48.576 1.00 0.00 H ATOM 395 HD21 ASN B 41 108.171 25.767 47.297 1.00 0.00 H ATOM 396 H ASN B 41 112.900 26.829 46.013 1.00 0.00 H ATOM 397 N LEU B 42 113.801 29.590 46.535 1.00 27.14 N ATOM 398 CA LEU B 42 114.732 30.633 46.930 1.00 26.93 C ATOM 399 C LEU B 42 114.490 31.902 46.096 1.00 26.63 C ATOM 400 O LEU B 42 114.468 31.855 44.864 1.00 28.01 O ATOM 401 CB LEU B 42 116.169 30.147 46.747 1.00 26.33 C ATOM 402 CG LEU B 42 116.671 28.998 47.622 1.00 26.88 C ATOM 403 CD1 LEU B 42 118.041 28.530 47.142 1.00 27.55 C ATOM 404 CD2 LEU B 42 116.763 29.437 49.067 1.00 26.68 C ATOM 405 H LEU B 42 114.158 28.754 46.029 1.00 0.00 H ATOM 406 N HIS B 43 114.322 33.035 46.771 1.00 21.44 N ATOM 407 CA HIS B 43 114.016 34.288 46.096 1.00 23.04 C ATOM 408 C HIS B 43 114.225 35.435 47.069 1.00 21.98 C ATOM 409 O HIS B 43 114.418 35.210 48.269 1.00 22.07 O ATOM 410 CB HIS B 43 112.553 34.279 45.649 1.00 22.47 C ATOM 411 CG HIS B 43 111.591 34.355 46.788 1.00 22.78 C ATOM 412 ND1 HIS B 43 111.130 33.232 47.446 1.00 29.89 N ATOM 413 CD2 HIS B 43 111.041 35.416 47.425 1.00 22.85 C ATOM 414 CE1 HIS B 43 110.317 33.599 48.421 1.00 28.88 C ATOM 415 NE2 HIS B 43 110.242 34.919 48.431 1.00 24.30 N ATOM 416 H HIS B 43 114.411 33.026 47.807 1.00 0.00 H ATOM 417 N LEU B 44 114.183 36.660 46.556 1.00 20.47 N ATOM 418 CA LEU B 44 114.308 37.856 47.383 1.00 18.73 C ATOM 419 C LEU B 44 113.023 38.658 47.241 1.00 20.67 C ATOM 420 O LEU B 44 112.739 39.186 46.158 1.00 17.26 O ATOM 421 CB LEU B 44 115.513 38.698 46.936 1.00 20.33 C ATOM 422 CG LEU B 44 115.979 39.877 47.811 1.00 26.91 C ATOM 423 CD1 LEU B 44 117.469 40.203 47.548 1.00 22.97 C ATOM 424 CD2 LEU B 44 115.129 41.122 47.570 1.00 22.08 C ATOM 425 H LEU B 44 114.057 36.770 45.530 1.00 0.00 H ATOM 426 N THR B 45 112.242 38.739 48.326 1.00 18.09 N ATOM 427 CA THR B 45 110.937 39.393 48.279 1.00 18.51 C ATOM 428 C THR B 45 111.088 40.909 48.251 1.00 19.55 C ATOM 429 O THR B 45 111.814 41.478 49.064 1.00 21.78 O ATOM 430 CB THR B 45 110.040 38.977 49.483 1.00 26.14 C ATOM 431 OG1 THR B 45 109.812 37.561 49.440 1.00 19.82 O ATOM 432 CG2 THR B 45 108.693 39.702 49.418 1.00 21.77 C ATOM 433 HG1 THR B 45 109.242 37.296 50.205 1.00 0.00 H ATOM 434 H THR B 45 112.572 38.327 49.222 1.00 0.00 H ATOM 435 N LEU B 46 110.402 41.565 47.315 1.00 19.00 N ATOM 436 CA LEU B 46 110.427 43.027 47.226 1.00 22.91 C ATOM 437 C LEU B 46 109.266 43.623 48.033 1.00 26.53 C ATOM 438 O LEU B 46 109.426 44.649 48.714 1.00 20.14 O ATOM 439 CB LEU B 46 110.318 43.491 45.765 1.00 17.39 C ATOM 440 CG LEU B 46 111.438 43.081 44.812 1.00 19.76 C ATOM 441 CD1 LEU B 46 111.014 43.342 43.353 1.00 16.03 C ATOM 442 CD2 LEU B 46 112.685 43.885 45.155 1.00 19.21 C ATOM 443 H LEU B 46 109.835 41.025 46.631 1.00 0.00 H ATOM 444 N ALA B 47 108.108 42.968 47.954 1.00 23.33 N ATOM 445 CA ALA B 47 106.900 43.438 48.645 1.00 26.55 C ATOM 446 C ALA B 47 105.858 42.338 48.796 1.00 27.93 C ATOM 447 O ALA B 47 105.573 41.620 47.836 1.00 32.30 O ATOM 448 CB ALA B 47 106.287 44.629 47.893 1.00 26.60 C ATOM 449 H ALA B 47 108.058 42.098 47.386 1.00 0.00 H ATOM 450 N PHE B 48 105.283 42.224 49.994 1.00 32.09 N ATOM 451 CA PHE B 48 104.184 41.288 50.258 1.00 34.26 C ATOM 452 C PHE B 48 102.850 42.027 50.187 1.00 30.52 C ATOM 453 O PHE B 48 102.658 43.019 50.883 1.00 32.52 O ATOM 454 CB PHE B 48 104.345 40.644 51.636 1.00 36.98 C ATOM 455 CG PHE B 48 103.269 39.634 51.969 1.00 41.83 C ATOM 456 CD1 PHE B 48 103.100 38.499 51.189 1.00 35.50 C ATOM 457 CD2 PHE B 48 102.429 39.820 53.072 1.00 41.49 C ATOM 458 CE1 PHE B 48 102.118 37.572 51.494 1.00 42.31 C ATOM 459 CE2 PHE B 48 101.447 38.897 53.379 1.00 38.87 C ATOM 460 CZ PHE B 48 101.292 37.771 52.597 1.00 38.84 C ATOM 461 H PHE B 48 105.627 42.822 50.772 1.00 0.00 H ATOM 462 N LEU B 49 101.941 41.554 49.341 1.00 29.70 N ATOM 463 CA LEU B 49 100.678 42.253 49.105 1.00 31.82 C ATOM 464 C LEU B 49 99.542 41.658 49.948 1.00 38.09 C ATOM 465 O LEU B 49 98.498 42.280 50.118 1.00 38.59 O ATOM 466 CB LEU B 49 100.297 42.193 47.619 1.00 30.60 C ATOM 467 CG LEU B 49 101.347 42.603 46.573 1.00 32.07 C ATOM 468 CD1 LEU B 49 100.803 42.384 45.163 1.00 29.46 C ATOM 469 CD2 LEU B 49 101.785 44.044 46.743 1.00 26.27 C ATOM 470 H LEU B 49 102.132 40.666 48.835 1.00 0.00 H ATOM 471 N GLY B 50 99.747 40.451 50.465 1.00 40.72 N ATOM 472 CA GLY B 50 98.714 39.765 51.217 1.00 42.71 C ATOM 473 C GLY B 50 97.607 39.211 50.340 1.00 44.20 C ATOM 474 O GLY B 50 97.849 38.752 49.218 1.00 41.26 O ATOM 475 H GLY B 50 100.668 39.988 50.327 1.00 0.00 H ATOM 476 N GLU B 51 96.382 39.258 50.854 1.00 48.21 N ATOM 477 CA GLU B 51 95.232 38.723 50.136 1.00 42.88 C ATOM 478 C GLU B 51 94.670 39.775 49.188 1.00 41.67 C ATOM 479 O GLU B 51 94.317 40.880 49.601 1.00 43.60 O ATOM 480 CB GLU B 51 94.153 38.258 51.115 1.00 45.85 C ATOM 481 CG GLU B 51 93.692 36.834 50.850 1.00 48.35 C ATOM 482 CD GLU B 51 94.776 35.822 51.137 1.00 47.42 C ATOM 483 OE1 GLU B 51 94.984 34.911 50.305 1.00 48.38 O ATOM 484 OE2 GLU B 51 95.418 35.938 52.204 1.00 48.07 O ATOM 485 H GLU B 51 96.241 39.687 51.791 1.00 0.00 H ATOM 486 N VAL B 52 94.593 39.422 47.913 1.00 40.22 N ATOM 487 CA VAL B 52 94.319 40.398 46.878 1.00 40.27 C ATOM 488 C VAL B 52 93.287 39.821 45.932 1.00 38.68 C ATOM 489 O VAL B 52 93.442 38.701 45.451 1.00 37.50 O ATOM 490 CB VAL B 52 95.619 40.753 46.105 1.00 39.82 C ATOM 491 CG1 VAL B 52 95.315 41.646 44.937 1.00 36.18 C ATOM 492 CG2 VAL B 52 96.613 41.428 47.035 1.00 37.46 C ATOM 493 H VAL B 52 94.732 38.425 47.650 1.00 0.00 H ATOM 494 N SER B 53 92.217 40.575 45.695 1.00 41.20 N ATOM 495 CA SER B 53 91.154 40.126 44.806 1.00 42.24 C ATOM 496 C SER B 53 91.640 40.225 43.383 1.00 41.88 C ATOM 497 O SER B 53 92.678 40.822 43.123 1.00 40.49 O ATOM 498 CB SER B 53 89.911 40.996 44.956 1.00 45.14 C ATOM 499 OG SER B 53 90.153 42.310 44.487 1.00 42.23 O ATOM 500 HG SER B 53 89.333 42.854 44.595 1.00 0.00 H ATOM 501 H SER B 53 92.138 41.505 46.154 1.00 0.00 H ATOM 502 N ALA B 54 90.882 39.653 42.460 1.00 36.81 N ATOM 503 CA ALA B 54 91.257 39.685 41.064 1.00 41.27 C ATOM 504 C ALA B 54 91.333 41.125 40.575 1.00 45.27 C ATOM 505 O ALA B 54 92.219 41.481 39.811 1.00 42.55 O ATOM 506 CB ALA B 54 90.272 38.885 40.242 1.00 41.68 C ATOM 507 H ALA B 54 90.004 39.174 42.744 1.00 0.00 H ATOM 508 N GLU B 55 90.413 41.956 41.049 1.00 47.16 N ATOM 509 CA GLU B 55 90.298 43.330 40.576 1.00 44.52 C ATOM 510 C GLU B 55 91.451 44.205 41.056 1.00 44.77 C ATOM 511 O GLU B 55 91.948 45.062 40.317 1.00 38.60 O ATOM 512 CB GLU B 55 88.967 43.925 41.036 1.00 52.65 C ATOM 513 CG GLU B 55 88.725 45.350 40.577 1.00 53.87 C ATOM 514 CD GLU B 55 87.342 45.847 40.955 1.00 62.41 C ATOM 515 OE1 GLU B 55 86.672 45.181 41.777 1.00 59.92 O ATOM 516 OE2 GLU B 55 86.924 46.899 40.425 1.00 67.52 O ATOM 517 H GLU B 55 89.755 41.617 41.779 1.00 0.00 H ATOM 518 N LYS B 56 91.863 44.009 42.304 1.00 41.94 N ATOM 519 CA LYS B 56 92.999 44.751 42.821 1.00 37.83 C ATOM 520 C LYS B 56 94.303 44.234 42.210 1.00 38.15 C ATOM 521 O LYS B 56 95.221 45.013 41.974 1.00 36.87 O ATOM 522 CB LYS B 56 93.060 44.691 44.342 1.00 38.06 C ATOM 523 CG LYS B 56 94.175 45.544 44.931 1.00 43.04 C ATOM 524 CD LYS B 56 94.038 45.704 46.439 1.00 46.52 C ATOM 525 CE LYS B 56 92.835 46.574 46.790 1.00 52.18 C ATOM 526 NZ LYS B 56 92.963 47.953 46.221 1.00 54.96 N ATOM 527 HZ1 LYS B 56 93.818 48.406 46.603 1.00 0.00 H ATOM 528 HZ2 LYS B 56 93.034 47.894 45.185 1.00 0.00 H ATOM 529 HZ3 LYS B 56 92.126 48.513 46.481 1.00 0.00 H ATOM 530 H LYS B 56 91.371 43.323 42.911 1.00 0.00 H ATOM 531 N GLU B 57 94.377 42.924 41.966 1.00 37.33 N ATOM 532 CA GLU B 57 95.546 42.330 41.322 1.00 39.87 C ATOM 533 C GLU B 57 95.806 43.077 40.013 1.00 38.66 C ATOM 534 O GLU B 57 96.902 43.598 39.803 1.00 34.21 O ATOM 535 CB GLU B 57 95.350 40.823 41.082 1.00 34.04 C ATOM 536 CG GLU B 57 96.492 40.136 40.301 1.00 33.54 C ATOM 537 CD GLU B 57 96.274 38.634 40.106 1.00 41.13 C ATOM 538 OE1 GLU B 57 95.428 38.050 40.819 1.00 42.76 O ATOM 539 OE2 GLU B 57 96.942 38.020 39.241 1.00 40.74 O ATOM 540 H GLU B 57 93.583 42.311 42.241 1.00 0.00 H ATOM 541 N LYS B 58 94.779 43.171 39.167 1.00 37.95 N ATOM 542 CA LYS B 58 94.886 43.898 37.901 1.00 39.93 C ATOM 543 C LYS B 58 95.399 45.324 38.098 1.00 39.03 C ATOM 544 O LYS B 58 96.349 45.745 37.430 1.00 34.64 O ATOM 545 CB LYS B 58 93.545 43.918 37.167 1.00 42.41 C ATOM 546 CG LYS B 58 93.664 43.581 35.680 1.00 48.92 C ATOM 547 CD LYS B 58 92.315 43.641 34.968 1.00 53.35 C ATOM 548 CE LYS B 58 91.255 42.817 35.696 1.00 59.02 C ATOM 549 NZ LYS B 58 91.638 41.384 35.873 1.00 66.26 N ATOM 550 HZ1 LYS B 58 91.788 40.949 34.940 1.00 0.00 H ATOM 551 HZ2 LYS B 58 92.515 41.327 36.428 1.00 0.00 H ATOM 552 HZ3 LYS B 58 90.877 40.882 36.373 1.00 0.00 H ATOM 553 H LYS B 58 93.877 42.715 39.414 1.00 0.00 H ATOM 554 N ALA B 59 94.786 46.058 39.023 1.00 34.01 N ATOM 555 CA ALA B 59 95.210 47.430 39.299 1.00 37.45 C ATOM 556 C ALA B 59 96.690 47.513 39.696 1.00 34.25 C ATOM 557 O ALA B 59 97.429 48.366 39.199 1.00 33.91 O ATOM 558 CB ALA B 59 94.331 48.055 40.375 1.00 34.15 C ATOM 559 H ALA B 59 93.993 45.650 39.558 1.00 0.00 H ATOM 560 N LEU B 60 97.111 46.623 40.592 1.00 31.88 N ATOM 561 CA LEU B 60 98.504 46.549 41.031 1.00 32.35 C ATOM 562 C LEU B 60 99.491 46.169 39.905 1.00 31.82 C ATOM 563 O LEU B 60 100.590 46.728 39.832 1.00 26.71 O ATOM 564 CB LEU B 60 98.634 45.567 42.192 1.00 33.44 C ATOM 565 CG LEU B 60 97.987 46.021 43.501 1.00 37.91 C ATOM 566 CD1 LEU B 60 98.046 44.929 44.554 1.00 36.74 C ATOM 567 CD2 LEU B 60 98.665 47.282 43.995 1.00 33.53 C ATOM 568 H LEU B 60 96.423 45.955 40.995 1.00 0.00 H ATOM 569 N SER B 61 99.093 45.220 39.054 1.00 26.19 N ATOM 570 CA SER B 61 99.889 44.795 37.908 1.00 28.73 C ATOM 571 C SER B 61 100.082 45.932 36.912 1.00 31.50 C ATOM 572 O SER B 61 101.171 46.096 36.353 1.00 30.07 O ATOM 573 CB SER B 61 99.231 43.607 37.196 1.00 26.75 C ATOM 574 OG SER B 61 99.144 42.479 38.052 1.00 36.25 O ATOM 575 HG SER B 61 98.602 42.711 38.847 1.00 0.00 H ATOM 576 H SER B 61 98.173 44.763 39.216 1.00 0.00 H ATOM 577 N LEU B 62 99.023 46.710 36.684 1.00 30.19 N ATOM 578 CA LEU B 62 99.124 47.878 35.806 1.00 32.30 C ATOM 579 C LEU B 62 100.116 48.922 36.328 1.00 27.49 C ATOM 580 O LEU B 62 100.930 49.427 35.567 1.00 30.08 O ATOM 581 CB LEU B 62 97.746 48.499 35.549 1.00 33.58 C ATOM 582 CG LEU B 62 96.860 47.670 34.614 1.00 36.25 C ATOM 583 CD1 LEU B 62 95.439 48.220 34.536 1.00 41.06 C ATOM 584 CD2 LEU B 62 97.476 47.608 33.225 1.00 38.11 C ATOM 585 H LEU B 62 98.114 46.484 37.135 1.00 0.00 H ATOM 586 N LEU B 63 100.067 49.231 37.619 1.00 25.61 N ATOM 587 CA LEU B 63 101.033 50.162 38.209 1.00 26.38 C ATOM 588 C LEU B 63 102.475 49.607 38.139 1.00 26.73 C ATOM 589 O LEU B 63 103.424 50.342 37.831 1.00 27.06 O ATOM 590 CB LEU B 63 100.648 50.499 39.654 1.00 27.74 C ATOM 591 CG LEU B 63 99.344 51.296 39.859 1.00 33.75 C ATOM 592 CD1 LEU B 63 98.872 51.266 41.312 1.00 30.73 C ATOM 593 CD2 LEU B 63 99.544 52.733 39.423 1.00 35.62 C ATOM 594 H LEU B 63 99.332 48.806 38.220 1.00 0.00 H ATOM 595 N ALA B 64 102.626 48.318 38.430 1.00 23.84 N ATOM 596 CA ALA B 64 103.902 47.611 38.242 1.00 27.38 C ATOM 597 C ALA B 64 104.417 47.772 36.804 1.00 23.81 C ATOM 598 O ALA B 64 105.607 47.974 36.582 1.00 22.99 O ATOM 599 CB ALA B 64 103.740 46.134 38.578 1.00 25.06 C ATOM 600 H ALA B 64 101.812 47.790 38.804 1.00 0.00 H ATOM 601 N GLY B 65 103.507 47.695 35.838 1.00 24.92 N ATOM 602 CA GLY B 65 103.833 47.934 34.441 1.00 25.08 C ATOM 603 C GLY B 65 104.338 49.332 34.089 1.00 27.75 C ATOM 604 O GLY B 65 104.899 49.518 33.005 1.00 28.43 O ATOM 605 H GLY B 65 102.527 47.455 36.090 1.00 0.00 H ATOM 606 N ARG B 66 104.157 50.310 34.980 1.00 23.91 N ATOM 607 CA ARG B 66 104.574 51.691 34.703 1.00 24.87 C ATOM 608 C ARG B 66 106.015 51.925 35.124 1.00 25.57 C ATOM 609 O ARG B 66 106.671 52.858 34.662 1.00 27.01 O ATOM 610 CB ARG B 66 103.686 52.704 35.448 1.00 27.21 C ATOM 611 CG ARG B 66 102.240 52.827 34.955 1.00 31.42 C ATOM 612 CD ARG B 66 101.479 53.835 35.821 1.00 30.66 C ATOM 613 NE ARG B 66 100.034 53.797 35.592 1.00 41.46 N ATOM 614 CZ ARG B 66 99.143 54.519 36.268 1.00 34.86 C ATOM 615 NH1 ARG B 66 99.537 55.340 37.235 1.00 31.07 N ATOM 616 NH2 ARG B 66 97.854 54.411 35.975 1.00 37.76 N ATOM 617 HE ARG B 66 99.678 53.162 34.849 1.00 0.00 H ATOM 618 HH12 ARG B 66 98.835 55.901 37.759 1.00 0.00 H ATOM 619 HH11 ARG B 66 100.547 55.422 37.468 1.00 0.00 H ATOM 620 HH22 ARG B 66 97.153 54.972 36.499 1.00 0.00 H ATOM 621 HH21 ARG B 66 97.544 53.765 35.221 1.00 0.00 H ATOM 622 H ARG B 66 103.710 50.089 35.892 1.00 0.00 H ATOM 623 N ILE B 67 106.495 51.073 36.018 1.00 24.52 N ATOM 624 CA ILE B 67 107.861 51.167 36.523 1.00 25.34 C ATOM 625 C ILE B 67 108.895 51.157 35.401 1.00 27.66 C ATOM 626 O ILE B 67 108.876 50.284 34.522 1.00 21.28 O ATOM 627 CB ILE B 67 108.152 50.037 37.531 1.00 26.35 C ATOM 628 CG1 ILE B 67 107.397 50.336 38.837 1.00 29.41 C ATOM 629 CG2 ILE B 67 109.641 49.918 37.782 1.00 22.78 C ATOM 630 CD1 ILE B 67 107.493 49.246 39.896 1.00 25.16 C ATOM 631 H ILE B 67 105.879 50.313 36.371 1.00 0.00 H ATOM 632 N ARG B 68 109.766 52.161 35.436 1.00 27.18 N ATOM 633 CA ARG B 68 110.854 52.323 34.480 1.00 33.09 C ATOM 634 C ARG B 68 112.115 52.538 35.292 1.00 34.21 C ATOM 635 O ARG B 68 112.374 53.644 35.765 1.00 38.73 O ATOM 636 CB ARG B 68 110.625 53.560 33.605 1.00 27.19 C ATOM 637 CG ARG B 68 109.322 53.562 32.841 1.00 27.39 C ATOM 638 CD ARG B 68 109.407 52.705 31.585 1.00 29.81 C ATOM 639 NE ARG B 68 108.135 52.749 30.869 1.00 30.08 N ATOM 640 CZ ARG B 68 107.086 51.989 31.168 1.00 29.61 C ATOM 641 NH1 ARG B 68 107.159 51.105 32.160 1.00 26.98 N ATOM 642 NH2 ARG B 68 105.966 52.114 30.475 1.00 30.37 N ATOM 643 HE ARG B 68 108.044 53.416 30.076 1.00 0.00 H ATOM 644 HH12 ARG B 68 106.336 50.513 32.390 1.00 0.00 H ATOM 645 HH11 ARG B 68 108.039 51.006 32.705 1.00 0.00 H ATOM 646 HH22 ARG B 68 105.143 51.521 30.706 1.00 0.00 H ATOM 647 HH21 ARG B 68 105.909 52.805 29.700 1.00 0.00 H ATOM 648 H ARG B 68 109.665 52.871 36.189 1.00 0.00 H ATOM 649 N GLN B 69 112.891 51.488 35.496 1.00 30.74 N ATOM 650 CA GLN B 69 114.192 51.690 36.109 1.00 35.75 C ATOM 651 C GLN B 69 115.232 50.746 35.516 1.00 31.35 C ATOM 652 O GLN B 69 114.888 49.687 34.991 1.00 30.01 O ATOM 653 CB GLN B 69 114.102 51.563 37.630 1.00 32.95 C ATOM 654 CG GLN B 69 113.834 50.195 38.139 1.00 30.26 C ATOM 655 CD GLN B 69 114.158 50.099 39.605 1.00 37.43 C ATOM 656 OE1 GLN B 69 113.341 50.443 40.458 1.00 39.19 O ATOM 657 NE2 GLN B 69 115.364 49.643 39.911 1.00 36.88 N ATOM 658 HE22 GLN B 69 116.022 49.364 39.155 1.00 0.00 H ATOM 659 HE21 GLN B 69 115.653 49.564 40.907 1.00 0.00 H ATOM 660 H GLN B 69 112.576 50.535 35.223 1.00 0.00 H ATOM 661 N PRO B 70 116.506 51.146 35.575 1.00 31.61 N ATOM 662 CA PRO B 70 117.574 50.306 35.024 1.00 31.55 C ATOM 663 C PRO B 70 117.749 49.004 35.816 1.00 29.72 C ATOM 664 O PRO B 70 117.471 48.962 37.015 1.00 25.92 O ATOM 665 CB PRO B 70 118.836 51.169 35.203 1.00 34.44 C ATOM 666 CG PRO B 70 118.344 52.568 35.469 1.00 33.24 C ATOM 667 CD PRO B 70 117.008 52.425 36.117 1.00 30.03 C ATOM 668 N GLY B 71 118.227 47.957 35.153 1.00 27.84 N ATOM 669 CA GLY B 71 118.651 46.761 35.859 1.00 29.05 C ATOM 670 C GLY B 71 119.826 47.082 36.769 1.00 29.53 C ATOM 671 O GLY B 71 120.388 48.180 36.702 1.00 28.94 O ATOM 672 H GLY B 71 118.298 47.994 34.116 1.00 0.00 H ATOM 673 N PHE B 72 120.199 46.134 37.627 1.00 23.56 N ATOM 674 CA PHE B 72 121.292 46.352 38.562 1.00 20.68 C ATOM 675 C PHE B 72 121.933 45.026 38.915 1.00 21.10 C ATOM 676 O PHE B 72 121.388 43.973 38.611 1.00 18.94 O ATOM 677 CB PHE B 72 120.797 47.066 39.825 1.00 23.29 C ATOM 678 CG PHE B 72 119.607 46.412 40.465 1.00 23.47 C ATOM 679 CD1 PHE B 72 118.325 46.851 40.182 1.00 27.87 C ATOM 680 CD2 PHE B 72 119.767 45.355 41.346 1.00 22.68 C ATOM 681 CE1 PHE B 72 117.219 46.250 40.774 1.00 26.49 C ATOM 682 CE2 PHE B 72 118.677 44.749 41.932 1.00 20.95 C ATOM 683 CZ PHE B 72 117.399 45.196 41.648 1.00 26.06 C ATOM 684 H PHE B 72 119.700 45.222 37.629 1.00 0.00 H ATOM 685 N THR B 73 123.094 45.079 39.556 1.00 22.17 N ATOM 686 CA THR B 73 123.819 43.872 39.904 1.00 21.70 C ATOM 687 C THR B 73 123.648 43.585 41.390 1.00 22.46 C ATOM 688 O THR B 73 123.770 44.480 42.216 1.00 22.52 O ATOM 689 CB THR B 73 125.309 44.019 39.549 1.00 22.27 C ATOM 690 OG1 THR B 73 125.425 44.115 38.130 1.00 26.33 O ATOM 691 CG2 THR B 73 126.114 42.813 40.018 1.00 18.92 C ATOM 692 HG1 THR B 73 126.379 44.210 37.884 1.00 0.00 H ATOM 693 H THR B 73 123.492 46.005 39.814 1.00 0.00 H ATOM 694 N LEU B 74 123.333 42.343 41.734 1.00 20.70 N ATOM 695 CA LEU B 74 123.293 41.954 43.141 1.00 18.92 C ATOM 696 C LEU B 74 124.490 41.064 43.425 1.00 21.02 C ATOM 697 O LEU B 74 124.745 40.103 42.690 1.00 18.20 O ATOM 698 CB LEU B 74 122.022 41.159 43.467 1.00 20.50 C ATOM 699 CG LEU B 74 120.674 41.858 43.621 1.00 25.67 C ATOM 700 CD1 LEU B 74 119.577 40.825 43.870 1.00 26.60 C ATOM 701 CD2 LEU B 74 120.734 42.852 44.770 1.00 33.00 C ATOM 702 H LEU B 74 123.113 41.642 40.997 1.00 0.00 H ATOM 703 N THR B 75 125.207 41.360 44.502 1.00 18.99 N ATOM 704 CA THR B 75 126.302 40.505 44.935 1.00 18.88 C ATOM 705 C THR B 75 126.018 40.102 46.382 1.00 20.18 C ATOM 706 O THR B 75 125.886 40.967 47.250 1.00 20.91 O ATOM 707 CB THR B 75 127.623 41.240 44.823 1.00 14.37 C ATOM 708 OG1 THR B 75 127.863 41.532 43.439 1.00 18.02 O ATOM 709 CG2 THR B 75 128.762 40.391 45.365 1.00 17.84 C ATOM 710 HG1 THR B 75 127.901 40.686 42.926 1.00 0.00 H ATOM 711 H THR B 75 124.982 42.218 45.046 1.00 0.00 H ATOM 712 N LEU B 76 125.864 38.800 46.627 1.00 13.49 N ATOM 713 CA LEU B 76 125.500 38.315 47.958 1.00 18.41 C ATOM 714 C LEU B 76 126.773 38.121 48.785 1.00 22.31 C ATOM 715 O LEU B 76 127.442 37.090 48.686 1.00 20.95 O ATOM 716 CB LEU B 76 124.692 37.015 47.852 1.00 17.89 C ATOM 717 CG LEU B 76 123.454 37.118 46.931 1.00 21.50 C ATOM 718 CD1 LEU B 76 122.783 35.770 46.720 1.00 16.89 C ATOM 719 CD2 LEU B 76 122.440 38.146 47.466 1.00 18.59 C ATOM 720 H LEU B 76 126.006 38.116 45.856 1.00 0.00 H ATOM 721 N ASP B 77 127.120 39.138 49.570 1.00 20.55 N ATOM 722 CA ASP B 77 128.358 39.130 50.351 1.00 21.96 C ATOM 723 C ASP B 77 128.077 38.902 51.849 1.00 24.47 C ATOM 724 O ASP B 77 129.001 38.883 52.666 1.00 22.19 O ATOM 725 CB ASP B 77 129.159 40.431 50.114 1.00 21.14 C ATOM 726 CG ASP B 77 128.401 41.702 50.551 1.00 24.45 C ATOM 727 OD1 ASP B 77 129.010 42.811 50.591 1.00 22.93 O ATOM 728 OD2 ASP B 77 127.199 41.615 50.840 1.00 20.31 O ATOM 729 H ASP B 77 126.492 39.965 49.631 1.00 0.00 H ATOM 730 N ASP B 78 126.804 38.693 52.186 1.00 25.26 N ATOM 731 CA ASP B 78 126.347 38.668 53.586 1.00 25.64 C ATOM 732 C ASP B 78 125.504 37.435 53.919 1.00 26.45 C ATOM 733 O ASP B 78 124.734 36.952 53.086 1.00 23.58 O ATOM 734 CB ASP B 78 125.497 39.917 53.873 1.00 28.41 C ATOM 735 CG ASP B 78 125.669 40.426 55.287 1.00 35.15 C ATOM 736 OD1 ASP B 78 126.337 39.737 56.092 1.00 38.43 O ATOM 737 OD2 ASP B 78 125.141 41.516 55.598 1.00 36.58 O ATOM 738 H ASP B 78 126.106 38.542 51.430 1.00 0.00 H ATOM 739 N ALA B 79 125.643 36.938 55.147 1.00 25.49 N ATOM 740 CA ALA B 79 124.777 35.878 55.651 1.00 25.42 C ATOM 741 C ALA B 79 124.532 36.112 57.140 1.00 27.70 C ATOM 742 O ALA B 79 125.318 36.786 57.812 1.00 25.35 O ATOM 743 CB ALA B 79 125.392 34.517 55.431 1.00 23.62 C ATOM 744 H ALA B 79 126.390 37.316 55.764 1.00 0.00 H ATOM 745 N GLY B 80 123.442 35.565 57.657 1.00 29.58 N ATOM 746 CA GLY B 80 123.120 35.784 59.055 1.00 29.82 C ATOM 747 C GLY B 80 121.839 35.111 59.472 1.00 30.92 C ATOM 748 O GLY B 80 121.233 34.360 58.699 1.00 30.21 O ATOM 749 H GLY B 80 122.819 34.981 57.063 1.00 0.00 H ATOM 750 N GLN B 81 121.413 35.398 60.699 1.00 33.90 N ATOM 751 CA GLN B 81 120.238 34.755 61.273 1.00 35.65 C ATOM 752 C GLN B 81 119.376 35.783 61.999 1.00 36.19 C ATOM 753 O GLN B 81 119.901 36.670 62.677 1.00 36.58 O ATOM 754 CB GLN B 81 120.676 33.645 62.236 1.00 39.48 C ATOM 755 CG GLN B 81 119.537 32.914 62.959 1.00 42.73 C ATOM 756 CD GLN B 81 120.031 31.702 63.726 1.00 40.74 C ATOM 757 OE1 GLN B 81 121.106 31.735 64.325 1.00 44.81 O ATOM 758 NE2 GLN B 81 119.259 30.616 63.693 1.00 38.87 N ATOM 759 HE22 GLN B 81 118.358 30.634 63.174 1.00 0.00 H ATOM 760 HE21 GLN B 81 119.558 29.751 64.186 1.00 0.00 H ATOM 761 H GLN B 81 121.932 36.100 61.264 1.00 0.00 H ATOM 762 N TRP B 82 118.060 35.680 61.834 1.00 37.67 N ATOM 763 CA TRP B 82 117.125 36.538 62.562 1.00 41.44 C ATOM 764 C TRP B 82 116.350 35.675 63.545 1.00 41.19 C ATOM 765 O TRP B 82 115.489 34.877 63.153 1.00 40.20 O ATOM 766 CB TRP B 82 116.162 37.262 61.605 1.00 39.58 C ATOM 767 CG TRP B 82 116.796 38.405 60.861 1.00 41.53 C ATOM 768 CD1 TRP B 82 117.886 39.138 61.253 1.00 40.70 C ATOM 769 CD2 TRP B 82 116.389 38.943 59.590 1.00 38.55 C ATOM 770 NE1 TRP B 82 118.177 40.096 60.306 1.00 33.14 N ATOM 771 CE2 TRP B 82 117.271 40.002 59.280 1.00 37.60 C ATOM 772 CE3 TRP B 82 115.364 38.633 58.688 1.00 40.24 C ATOM 773 CZ2 TRP B 82 117.164 40.751 58.095 1.00 40.12 C ATOM 774 CZ3 TRP B 82 115.255 39.382 57.510 1.00 38.38 C ATOM 775 CH2 TRP B 82 116.153 40.426 57.227 1.00 35.29 C ATOM 776 HE1 TRP B 82 118.958 40.780 60.360 1.00 0.00 H ATOM 777 H TRP B 82 117.686 34.972 61.171 1.00 0.00 H ATOM 778 N LEU B 83 116.674 35.809 64.821 1.00 39.67 N ATOM 779 CA LEU B 83 116.001 35.020 65.837 1.00 44.63 C ATOM 780 C LEU B 83 114.518 35.393 65.916 1.00 43.38 C ATOM 781 O LEU B 83 113.662 34.524 66.091 1.00 39.14 O ATOM 782 CB LEU B 83 116.702 35.182 67.188 1.00 49.26 C ATOM 783 CG LEU B 83 118.099 34.553 67.191 1.00 48.84 C ATOM 784 CD1 LEU B 83 118.891 34.903 68.447 1.00 50.34 C ATOM 785 CD2 LEU B 83 117.984 33.044 67.021 1.00 43.92 C ATOM 786 H LEU B 83 117.415 36.484 65.098 1.00 0.00 H ATOM 787 N ARG B 84 114.221 36.679 65.745 1.00 42.27 N ATOM 788 CA ARG B 84 112.845 37.159 65.839 1.00 43.26 C ATOM 789 C ARG B 84 111.904 36.493 64.836 1.00 47.27 C ATOM 790 O ARG B 84 110.759 36.222 65.166 1.00 45.52 O ATOM 791 CB ARG B 84 112.780 38.690 65.766 1.00 41.82 C ATOM 792 CG ARG B 84 113.340 39.367 67.037 1.00 52.42 C ATOM 793 CD ARG B 84 113.334 40.898 66.992 1.00 44.67 C ATOM 794 NE ARG B 84 113.048 41.463 68.310 1.00 53.11 N ATOM 795 CZ ARG B 84 113.134 42.755 68.624 1.00 56.62 C ATOM 796 NH1 ARG B 84 112.840 43.161 69.855 1.00 45.81 N ATOM 797 NH2 ARG B 84 113.521 43.643 67.716 1.00 61.37 N ATOM 798 HE ARG B 84 112.755 40.805 69.060 1.00 0.00 H ATOM 799 HH12 ARG B 84 112.907 44.170 70.100 1.00 0.00 H ATOM 800 HH11 ARG B 84 112.543 42.470 70.573 1.00 0.00 H ATOM 801 HH22 ARG B 84 113.586 44.650 67.968 1.00 0.00 H ATOM 802 HH21 ARG B 84 113.759 43.332 66.753 1.00 0.00 H ATOM 803 H ARG B 84 114.984 37.355 65.540 1.00 0.00 H ATOM 804 N SER B 85 112.378 36.193 63.631 1.00 41.96 N ATOM 805 CA SER B 85 111.519 35.499 62.677 1.00 37.01 C ATOM 806 C SER B 85 111.967 34.058 62.425 1.00 40.46 C ATOM 807 O SER B 85 111.414 33.372 61.562 1.00 41.07 O ATOM 808 CB SER B 85 111.401 36.277 61.363 1.00 41.41 C ATOM 809 OG SER B 85 112.645 36.345 60.694 1.00 38.33 O ATOM 810 HG SER B 85 112.538 36.852 59.851 1.00 0.00 H ATOM 811 H SER B 85 113.351 36.450 63.371 1.00 0.00 H ATOM 812 N ARG B 86 112.965 33.609 63.186 1.00 36.55 N ATOM 813 CA ARG B 86 113.453 32.232 63.118 1.00 42.07 C ATOM 814 C ARG B 86 114.013 31.818 61.742 1.00 39.08 C ATOM 815 O ARG B 86 113.830 30.672 61.302 1.00 34.97 O ATOM 816 CB ARG B 86 112.363 31.241 63.564 1.00 44.18 C ATOM 817 CG ARG B 86 111.753 31.514 64.960 1.00 51.15 C ATOM 818 CD ARG B 86 110.959 30.292 65.448 1.00 50.93 C ATOM 819 NE ARG B 86 110.180 30.548 66.661 1.00 64.70 N ATOM 820 CZ ARG B 86 108.896 30.901 66.665 1.00 63.27 C ATOM 821 NH1 ARG B 86 108.268 31.110 67.816 1.00 55.51 N ATOM 822 NH2 ARG B 86 108.239 31.045 65.518 1.00 59.65 N ATOM 823 HE ARG B 86 110.660 30.448 67.578 1.00 0.00 H ATOM 824 HH12 ARG B 86 107.265 31.386 67.819 1.00 0.00 H ATOM 825 HH11 ARG B 86 108.779 30.998 68.715 1.00 0.00 H ATOM 826 HH22 ARG B 86 107.236 31.321 65.524 1.00 0.00 H ATOM 827 HH21 ARG B 86 108.728 30.882 64.615 1.00 0.00 H ATOM 828 H ARG B 86 113.415 34.265 63.856 1.00 0.00 H ATOM 829 N VAL B 87 114.712 32.727 61.069 1.00 34.82 N ATOM 830 CA VAL B 87 115.283 32.375 59.758 1.00 39.68 C ATOM 831 C VAL B 87 116.799 32.540 59.645 1.00 29.21 C ATOM 832 O VAL B 87 117.406 33.333 60.364 1.00 30.16 O ATOM 833 CB VAL B 87 114.594 33.138 58.604 1.00 33.03 C ATOM 834 CG1 VAL B 87 113.121 32.780 58.546 1.00 28.21 C ATOM 835 CG2 VAL B 87 114.783 34.627 58.777 1.00 26.53 C ATOM 836 H VAL B 87 114.854 33.678 61.465 1.00 0.00 H ATOM 837 N VAL B 88 117.398 31.754 58.755 1.00 30.57 N ATOM 838 CA VAL B 88 118.777 31.972 58.338 1.00 30.52 C ATOM 839 C VAL B 88 118.752 32.498 56.896 1.00 28.35 C ATOM 840 O VAL B 88 118.089 31.920 56.016 1.00 28.07 O ATOM 841 CB VAL B 88 119.617 30.685 58.454 1.00 30.62 C ATOM 842 CG1 VAL B 88 121.038 30.912 57.932 1.00 26.97 C ATOM 843 CG2 VAL B 88 119.650 30.204 59.921 1.00 31.63 C ATOM 844 H VAL B 88 116.866 30.960 58.344 1.00 0.00 H ATOM 845 N TRP B 89 119.459 33.598 56.659 1.00 28.07 N ATOM 846 CA TRP B 89 119.323 34.314 55.391 1.00 28.79 C ATOM 847 C TRP B 89 120.643 34.722 54.736 1.00 27.39 C ATOM 848 O TRP B 89 121.685 34.831 55.402 1.00 25.20 O ATOM 849 CB TRP B 89 118.493 35.574 55.603 1.00 26.00 C ATOM 850 CG TRP B 89 119.057 36.457 56.677 1.00 29.55 C ATOM 851 CD1 TRP B 89 118.638 36.535 57.980 1.00 33.15 C ATOM 852 CD2 TRP B 89 120.130 37.402 56.546 1.00 28.08 C ATOM 853 NE1 TRP B 89 119.387 37.468 58.662 1.00 35.54 N ATOM 854 CE2 TRP B 89 120.307 38.014 57.805 1.00 30.79 C ATOM 855 CE3 TRP B 89 120.951 37.797 55.482 1.00 27.24 C ATOM 856 CZ2 TRP B 89 121.276 38.982 58.034 1.00 31.79 C ATOM 857 CZ3 TRP B 89 121.904 38.753 55.703 1.00 28.66 C ATOM 858 CH2 TRP B 89 122.067 39.339 56.974 1.00 33.94 C ATOM 859 HE1 TRP B 89 119.273 37.718 59.665 1.00 0.00 H ATOM 860 H TRP B 89 120.116 33.953 57.383 1.00 0.00 H ATOM 861 N LEU B 90 120.543 35.010 53.441 1.00 27.58 N ATOM 862 CA LEU B 90 121.617 35.536 52.600 1.00 24.73 C ATOM 863 C LEU B 90 121.262 36.982 52.246 1.00 27.05 C ATOM 864 O LEU B 90 120.093 37.269 51.981 1.00 24.22 O ATOM 865 CB LEU B 90 121.645 34.740 51.291 1.00 22.67 C ATOM 866 CG LEU B 90 122.823 33.854 50.927 1.00 30.73 C ATOM 867 CD1 LEU B 90 123.376 33.164 52.135 1.00 25.50 C ATOM 868 CD2 LEU B 90 122.404 32.838 49.867 1.00 34.21 C ATOM 869 H LEU B 90 119.621 34.847 52.988 1.00 0.00 H ATOM 870 N GLY B 91 122.244 37.885 52.212 1.00 23.62 N ATOM 871 CA GLY B 91 121.953 39.279 51.905 1.00 23.09 C ATOM 872 C GLY B 91 123.084 40.034 51.236 1.00 30.93 C ATOM 873 O GLY B 91 124.076 39.414 50.842 1.00 23.32 O ATOM 874 H GLY B 91 123.223 37.592 52.406 1.00 0.00 H ATOM 875 N MET B 92 122.933 41.357 51.095 1.00 28.01 N ATOM 876 CA MET B 92 123.992 42.235 50.563 1.00 26.50 C ATOM 877 C MET B 92 124.273 43.327 51.612 1.00 32.31 C ATOM 878 O MET B 92 123.334 43.898 52.189 1.00 33.27 O ATOM 879 CB MET B 92 123.606 42.816 49.168 1.00 31.20 C ATOM 880 CG MET B 92 124.739 43.605 48.404 1.00 35.17 C ATOM 881 SD MET B 92 124.567 43.879 46.590 1.00 40.66 S ATOM 882 CE MET B 92 125.915 45.026 46.265 1.00 35.63 C ATOM 883 H MET B 92 122.027 41.785 51.373 1.00 0.00 H ATOM 884 N ARG B 93 125.546 43.581 51.918 1.00 29.38 N ATOM 885 CA ARG B 93 125.875 44.523 52.996 1.00 31.35 C ATOM 886 C ARG B 93 125.362 45.903 52.661 1.00 30.10 C ATOM 887 O ARG B 93 124.748 46.576 53.480 1.00 33.54 O ATOM 888 CB ARG B 93 127.384 44.597 53.223 1.00 30.97 C ATOM 889 CG ARG B 93 127.931 43.455 54.055 1.00 33.42 C ATOM 890 CD ARG B 93 129.443 43.499 54.098 1.00 29.66 C ATOM 891 NE ARG B 93 129.990 42.259 54.632 1.00 24.56 N ATOM 892 CZ ARG B 93 130.063 41.972 55.926 1.00 29.28 C ATOM 893 NH1 ARG B 93 130.570 40.812 56.314 1.00 31.10 N ATOM 894 NH2 ARG B 93 129.622 42.839 56.834 1.00 28.04 N ATOM 895 HE ARG B 93 130.346 41.553 53.956 1.00 0.00 H ATOM 896 HH12 ARG B 93 130.629 40.583 57.327 1.00 0.00 H ATOM 897 HH11 ARG B 93 130.909 40.130 55.606 1.00 0.00 H ATOM 898 HH22 ARG B 93 129.682 42.608 57.846 1.00 0.00 H ATOM 899 HH21 ARG B 93 129.217 43.748 56.532 1.00 0.00 H ATOM 900 H ARG B 93 126.309 43.110 51.391 1.00 0.00 H ATOM 901 N GLN B 94 125.610 46.305 51.429 1.00 26.04 N ATOM 902 CA GLN B 94 125.196 47.599 50.944 1.00 31.58 C ATOM 903 C GLN B 94 124.399 47.352 49.670 1.00 33.34 C ATOM 904 O GLN B 94 124.957 47.321 48.575 1.00 30.43 O ATOM 905 CB GLN B 94 126.430 48.473 50.679 1.00 28.21 C ATOM 906 CG GLN B 94 127.382 48.635 51.900 1.00 29.80 C ATOM 907 CD GLN B 94 126.749 49.419 53.050 1.00 35.14 C ATOM 908 OE1 GLN B 94 125.943 50.316 52.823 1.00 36.17 O ATOM 909 NE2 GLN B 94 127.114 49.080 54.285 1.00 31.03 N ATOM 910 HE22 GLN B 94 127.801 48.313 54.432 1.00 0.00 H ATOM 911 HE21 GLN B 94 126.712 49.582 55.102 1.00 0.00 H ATOM 912 H GLN B 94 126.121 45.667 50.786 1.00 0.00 H ATOM 913 N PRO B 95 123.087 47.142 49.813 1.00 30.64 N ATOM 914 CA PRO B 95 122.276 46.834 48.633 1.00 31.19 C ATOM 915 C PRO B 95 122.374 47.963 47.615 1.00 33.44 C ATOM 916 O PRO B 95 122.513 49.110 48.022 1.00 32.34 O ATOM 917 CB PRO B 95 120.861 46.738 49.203 1.00 30.40 C ATOM 918 CG PRO B 95 121.053 46.384 50.648 1.00 34.18 C ATOM 919 CD PRO B 95 122.295 47.135 51.053 1.00 34.78 C ATOM 920 N PRO B 96 122.354 47.646 46.310 1.00 30.91 N ATOM 921 CA PRO B 96 122.443 48.753 45.356 1.00 28.17 C ATOM 922 C PRO B 96 121.185 49.612 45.425 1.00 28.40 C ATOM 923 O PRO B 96 120.122 49.101 45.783 1.00 29.57 O ATOM 924 CB PRO B 96 122.533 48.050 43.994 1.00 28.93 C ATOM 925 CG PRO B 96 121.976 46.682 44.209 1.00 25.90 C ATOM 926 CD PRO B 96 122.274 46.330 45.647 1.00 33.07 C ATOM 927 N ARG B 97 121.300 50.890 45.082 1.00 25.58 N ATOM 928 CA ARG B 97 120.166 51.804 45.168 1.00 33.62 C ATOM 929 C ARG B 97 118.979 51.342 44.335 1.00 31.30 C ATOM 930 O ARG B 97 117.832 51.530 44.735 1.00 28.41 O ATOM 931 CB ARG B 97 120.562 53.229 44.759 1.00 39.51 C ATOM 932 CG ARG B 97 119.473 54.260 45.073 1.00 53.06 C ATOM 933 CD ARG B 97 119.949 55.704 44.924 1.00 57.24 C ATOM 934 NE ARG B 97 119.214 56.604 45.814 1.00 70.91 N ATOM 935 CZ ARG B 97 119.686 57.063 46.971 1.00 69.02 C ATOM 936 NH1 ARG B 97 120.901 56.716 47.376 1.00 68.92 N ATOM 937 NH2 ARG B 97 118.948 57.875 47.719 1.00 71.76 N ATOM 938 HE ARG B 97 118.262 56.904 45.524 1.00 0.00 H ATOM 939 HH12 ARG B 97 121.270 57.074 48.280 1.00 0.00 H ATOM 940 HH11 ARG B 97 121.484 56.086 46.790 1.00 0.00 H ATOM 941 HH22 ARG B 97 119.320 58.232 48.622 1.00 0.00 H ATOM 942 HH21 ARG B 97 117.998 58.154 47.401 1.00 0.00 H ATOM 943 H ARG B 97 122.217 51.246 44.745 1.00 0.00 H ATOM 944 N GLY B 98 119.250 50.736 43.184 1.00 29.31 N ATOM 945 CA GLY B 98 118.183 50.296 42.308 1.00 29.70 C ATOM 946 C GLY B 98 117.266 49.288 42.978 1.00 29.13 C ATOM 947 O GLY B 98 116.076 49.216 42.672 1.00 23.92 O ATOM 948 H GLY B 98 120.240 50.576 42.909 1.00 0.00 H ATOM 949 N LEU B 99 117.827 48.497 43.888 1.00 26.87 N ATOM 950 CA LEU B 99 117.055 47.474 44.562 1.00 26.81 C ATOM 951 C LEU B 99 116.107 48.128 45.551 1.00 25.73 C ATOM 952 O LEU B 99 114.913 47.795 45.584 1.00 23.73 O ATOM 953 CB LEU B 99 117.975 46.494 45.296 1.00 25.84 C ATOM 954 CG LEU B 99 117.218 45.452 46.117 1.00 22.33 C ATOM 955 CD1 LEU B 99 116.234 44.732 45.236 1.00 20.45 C ATOM 956 CD2 LEU B 99 118.175 44.463 46.766 1.00 23.71 C ATOM 957 H LEU B 99 118.834 48.615 44.119 1.00 0.00 H ATOM 958 N ILE B 100 116.649 49.043 46.357 1.00 24.13 N ATOM 959 CA ILE B 100 115.852 49.773 47.354 1.00 26.44 C ATOM 960 C ILE B 100 114.773 50.604 46.677 1.00 26.39 C ATOM 961 O ILE B 100 113.642 50.641 47.133 1.00 29.48 O ATOM 962 CB ILE B 100 116.708 50.728 48.217 1.00 29.77 C ATOM 963 CG1 ILE B 100 117.891 49.981 48.839 1.00 29.93 C ATOM 964 CG2 ILE B 100 115.838 51.399 49.314 1.00 31.36 C ATOM 965 CD1 ILE B 100 117.477 48.726 49.614 1.00 30.72 C ATOM 966 H ILE B 100 117.666 49.246 46.278 1.00 0.00 H ATOM 967 N GLN B 101 115.118 51.266 45.577 1.00 27.11 N ATOM 968 CA GLN B 101 114.144 52.099 44.877 1.00 28.10 C ATOM 969 C GLN B 101 113.018 51.250 44.299 1.00 29.79 C ATOM 970 O GLN B 101 111.843 51.625 44.373 1.00 29.44 O ATOM 971 CB GLN B 101 114.830 52.920 43.774 1.00 30.95 C ATOM 972 CG GLN B 101 113.872 53.697 42.880 1.00 38.22 C ATOM 973 CD GLN B 101 114.591 54.517 41.816 1.00 44.59 C ATOM 974 OE1 GLN B 101 115.724 54.211 41.441 1.00 48.46 O ATOM 975 NE2 GLN B 101 113.939 55.572 41.338 1.00 49.43 N ATOM 976 HE22 GLN B 101 112.983 55.793 41.684 1.00 0.00 H ATOM 977 HE21 GLN B 101 114.385 56.176 40.618 1.00 0.00 H ATOM 978 H GLN B 101 116.089 51.190 45.212 1.00 0.00 H ATOM 979 N LEU B 102 113.374 50.097 43.727 1.00 24.71 N ATOM 980 CA LEU B 102 112.370 49.196 43.173 1.00 27.72 C ATOM 981 C LEU B 102 111.412 48.722 44.258 1.00 25.95 C ATOM 982 O LEU B 102 110.191 48.698 44.062 1.00 22.10 O ATOM 983 CB LEU B 102 113.028 47.987 42.512 1.00 24.99 C ATOM 984 CG LEU B 102 112.060 46.940 41.957 1.00 25.35 C ATOM 985 CD1 LEU B 102 111.148 47.544 40.897 1.00 23.46 C ATOM 986 CD2 LEU B 102 112.841 45.737 41.391 1.00 19.95 C ATOM 987 H LEU B 102 114.380 49.838 43.676 1.00 0.00 H ATOM 988 N ALA B 103 111.981 48.328 45.389 1.00 20.86 N ATOM 989 CA ALA B 103 111.192 47.850 46.510 1.00 26.25 C ATOM 990 C ALA B 103 110.253 48.955 47.000 1.00 25.74 C ATOM 991 O ALA B 103 109.066 48.720 47.233 1.00 25.44 O ATOM 992 CB ALA B 103 112.102 47.390 47.631 1.00 25.51 C ATOM 993 H ALA B 103 113.017 48.362 45.475 1.00 0.00 H ATOM 994 N ASN B 104 110.798 50.158 47.141 1.00 28.37 N ATOM 995 CA ASN B 104 110.013 51.295 47.606 1.00 34.82 C ATOM 996 C ASN B 104 108.856 51.622 46.688 1.00 35.63 C ATOM 997 O ASN B 104 107.751 51.871 47.166 1.00 32.84 O ATOM 998 CB ASN B 104 110.900 52.520 47.800 1.00 28.71 C ATOM 999 CG ASN B 104 111.718 52.423 49.044 1.00 31.00 C ATOM 1000 OD1 ASN B 104 111.392 51.642 49.942 1.00 36.35 O ATOM 1001 ND2 ASN B 104 112.790 53.209 49.121 1.00 30.90 N ATOM 1002 HD22 ASN B 104 113.022 53.851 48.336 1.00 0.00 H ATOM 1003 HD21 ASN B 104 113.395 53.181 49.966 1.00 0.00 H ATOM 1004 H ASN B 104 111.804 50.291 46.915 1.00 0.00 H ATOM 1005 N MET B 105 109.120 51.617 45.378 1.00 31.06 N ATOM 1006 CA MET B 105 108.085 51.852 44.382 1.00 29.09 C ATOM 1007 C MET B 105 106.924 50.911 44.587 1.00 30.09 C ATOM 1008 O MET B 105 105.788 51.347 44.743 1.00 30.79 O ATOM 1009 CB MET B 105 108.627 51.667 42.957 1.00 25.80 C ATOM 1010 CG MET B 105 109.317 52.881 42.403 1.00 38.14 C ATOM 1011 SD MET B 105 108.271 54.338 42.614 1.00 48.42 S ATOM 1012 CE MET B 105 109.566 55.548 42.887 1.00 34.60 C ATOM 1013 H MET B 105 110.094 51.440 45.061 1.00 0.00 H ATOM 1014 N LEU B 106 107.215 49.614 44.579 1.00 28.06 N ATOM 1015 CA LEU B 106 106.178 48.588 44.679 1.00 25.38 C ATOM 1016 C LEU B 106 105.359 48.688 45.969 1.00 30.43 C ATOM 1017 O LEU B 106 104.128 48.556 45.948 1.00 27.00 O ATOM 1018 CB LEU B 106 106.800 47.197 44.546 1.00 26.74 C ATOM 1019 CG LEU B 106 107.346 46.853 43.146 1.00 24.89 C ATOM 1020 CD1 LEU B 106 108.019 45.499 43.173 1.00 21.29 C ATOM 1021 CD2 LEU B 106 106.198 46.844 42.164 1.00 22.08 C ATOM 1022 H LEU B 106 108.209 49.320 44.499 1.00 0.00 H ATOM 1023 N ARG B 107 106.047 48.912 47.085 1.00 28.28 N ATOM 1024 CA ARG B 107 105.381 49.067 48.379 1.00 36.05 C ATOM 1025 C ARG B 107 104.466 50.291 48.416 1.00 36.30 C ATOM 1026 O ARG B 107 103.321 50.187 48.843 1.00 35.47 O ATOM 1027 CB ARG B 107 106.411 49.126 49.508 1.00 29.17 C ATOM 1028 CG ARG B 107 107.086 47.789 49.754 1.00 33.25 C ATOM 1029 CD ARG B 107 108.487 47.956 50.305 1.00 37.76 C ATOM 1030 NE ARG B 107 108.556 47.634 51.727 1.00 45.00 N ATOM 1031 CZ ARG B 107 108.763 46.410 52.205 1.00 45.46 C ATOM 1032 NH1 ARG B 107 108.817 46.215 53.512 1.00 49.91 N ATOM 1033 NH2 ARG B 107 108.922 45.383 51.378 1.00 37.83 N ATOM 1034 HE ARG B 107 108.436 48.410 52.409 1.00 0.00 H ATOM 1035 HH12 ARG B 107 108.979 45.259 53.889 1.00 0.00 H ATOM 1036 HH11 ARG B 107 108.698 47.017 54.163 1.00 0.00 H ATOM 1037 HH22 ARG B 107 109.083 44.429 51.759 1.00 0.00 H ATOM 1038 HH21 ARG B 107 108.885 45.533 50.350 1.00 0.00 H ATOM 1039 H ARG B 107 107.084 48.979 47.037 1.00 0.00 H ATOM 1040 N SER B 108 104.972 51.441 47.966 1.00 33.21 N ATOM 1041 CA SER B 108 104.141 52.636 47.858 1.00 36.36 C ATOM 1042 C SER B 108 102.962 52.413 46.923 1.00 39.42 C ATOM 1043 O SER B 108 101.856 52.874 47.211 1.00 38.66 O ATOM 1044 CB SER B 108 104.954 53.866 47.431 1.00 36.87 C ATOM 1045 OG SER B 108 105.703 53.609 46.253 1.00 47.67 O ATOM 1046 HG SER B 108 106.329 52.860 46.418 1.00 0.00 H ATOM 1047 H SER B 108 105.973 51.486 47.688 1.00 0.00 H ATOM 1048 N GLN B 109 103.182 51.700 45.817 1.00 33.85 N ATOM 1049 CA GLN B 109 102.083 51.380 44.905 1.00 30.10 C ATOM 1050 C GLN B 109 101.052 50.502 45.618 1.00 38.69 C ATOM 1051 O GLN B 109 99.839 50.668 45.452 1.00 37.22 O ATOM 1052 CB GLN B 109 102.608 50.722 43.617 1.00 33.67 C ATOM 1053 CG GLN B 109 103.369 51.691 42.664 1.00 30.95 C ATOM 1054 CD GLN B 109 103.840 51.019 41.382 1.00 31.18 C ATOM 1055 OE1 GLN B 109 103.971 49.789 41.312 1.00 27.26 O ATOM 1056 NE2 GLN B 109 104.105 51.827 40.355 1.00 30.34 N ATOM 1057 HE22 GLN B 109 103.981 52.855 40.457 1.00 0.00 H ATOM 1058 HE21 GLN B 109 104.435 51.430 39.452 1.00 0.00 H ATOM 1059 H GLN B 109 104.144 51.368 45.601 1.00 0.00 H ATOM 1060 N ALA B 110 101.545 49.589 46.445 1.00 37.90 N ATOM 1061 CA ALA B 110 100.682 48.723 47.233 1.00 36.57 C ATOM 1062 C ALA B 110 99.853 49.540 48.238 1.00 43.43 C ATOM 1063 O ALA B 110 98.618 49.527 48.210 1.00 40.44 O ATOM 1064 CB ALA B 110 101.521 47.688 47.954 1.00 32.35 C ATOM 1065 H ALA B 110 102.577 49.490 46.532 1.00 0.00 H ATOM 1066 N ALA B 111 100.552 50.253 49.117 1.00 41.28 N ATOM 1067 CA ALA B 111 99.917 51.067 50.142 1.00 44.75 C ATOM 1068 C ALA B 111 98.887 52.028 49.560 1.00 46.48 C ATOM 1069 O ALA B 111 97.824 52.227 50.139 1.00 58.83 O ATOM 1070 CB ALA B 111 100.965 51.834 50.926 1.00 40.24 C ATOM 1071 H ALA B 111 101.591 50.228 49.070 1.00 0.00 H ATOM 1072 N ARG B 112 99.199 52.621 48.417 1.00 44.85 N ATOM 1073 CA ARG B 112 98.327 53.634 47.844 1.00 49.37 C ATOM 1074 C ARG B 112 97.095 53.023 47.191 1.00 54.09 C ATOM 1075 O ARG B 112 96.105 53.713 46.959 1.00 58.03 O ATOM 1076 CB ARG B 112 99.104 54.567 46.909 1.00 42.54 C ATOM 1077 CG ARG B 112 100.128 55.417 47.678 1.00 48.64 C ATOM 1078 CD ARG B 112 100.841 56.454 46.818 1.00 46.23 C ATOM 1079 NE ARG B 112 101.688 55.849 45.795 1.00 47.77 N ATOM 1080 CZ ARG B 112 101.317 55.668 44.531 1.00 48.05 C ATOM 1081 NH1 ARG B 112 100.107 56.046 44.136 1.00 46.10 N ATOM 1082 NH2 ARG B 112 102.150 55.102 43.663 1.00 41.61 N ATOM 1083 HE ARG B 112 102.642 55.540 46.072 1.00 0.00 H ATOM 1084 HH12 ARG B 112 99.815 55.905 43.148 1.00 0.00 H ATOM 1085 HH11 ARG B 112 99.451 56.483 44.815 1.00 0.00 H ATOM 1086 HH22 ARG B 112 101.856 54.962 42.675 1.00 0.00 H ATOM 1087 HH21 ARG B 112 103.096 54.799 43.972 1.00 0.00 H ATOM 1088 H ARG B 112 100.077 52.359 47.924 1.00 0.00 H ATOM 1089 N SER B 113 97.150 51.722 46.924 1.00 51.74 N ATOM 1090 CA SER B 113 95.956 50.980 46.542 1.00 52.94 C ATOM 1091 C SER B 113 95.324 50.355 47.790 1.00 53.10 C ATOM 1092 O SER B 113 94.427 49.514 47.687 1.00 49.89 O ATOM 1093 CB SER B 113 96.286 49.895 45.518 1.00 50.80 C ATOM 1094 OG SER B 113 96.840 50.446 44.333 1.00 52.23 O ATOM 1095 HG SER B 113 97.674 50.931 44.555 1.00 0.00 H ATOM 1096 H SER B 113 98.061 51.225 46.989 1.00 0.00 H ATOM 1097 N GLY B 114 95.807 50.772 48.962 1.00 51.74 N ATOM 1098 CA GLY B 114 95.340 50.258 50.241 1.00 52.42 C ATOM 1099 C GLY B 114 95.692 48.798 50.472 1.00 57.06 C ATOM 1100 O GLY B 114 94.814 47.935 50.412 1.00 59.13 O ATOM 1101 H GLY B 114 96.552 51.498 48.961 1.00 0.00 H ATOM 1102 N CYS B 115 96.965 48.513 50.752 1.00 53.96 N ATOM 1103 CA CYS B 115 97.427 47.123 50.785 1.00 54.66 C ATOM 1104 C CYS B 115 98.213 46.652 52.017 1.00 63.20 C ATOM 1105 O CYS B 115 98.582 45.476 52.068 1.00 64.94 O ATOM 1106 CB CYS B 115 98.224 46.787 49.519 1.00 53.41 C ATOM 1107 SG CYS B 115 97.351 45.761 48.311 1.00 53.96 S ATOM 1108 H CYS B 115 97.635 49.284 50.948 1.00 0.00 H ATOM 1109 N PHE B 116 98.485 47.543 52.975 1.00 61.83 N ATOM 1110 CA PHE B 116 99.037 47.139 54.282 1.00 61.04 C ATOM 1111 C PHE B 116 99.171 48.282 55.286 1.00 67.41 C ATOM 1112 O PHE B 116 99.234 48.048 56.500 1.00 66.46 O ATOM 1113 CB PHE B 116 100.370 46.374 54.165 1.00 56.11 C ATOM 1114 CG PHE B 116 101.541 47.222 53.771 1.00 61.46 C ATOM 1115 CD1 PHE B 116 101.742 47.574 52.438 1.00 60.79 C ATOM 1116 CD2 PHE B 116 102.467 47.639 54.722 1.00 62.24 C ATOM 1117 CE1 PHE B 116 102.829 48.345 52.060 1.00 50.31 C ATOM 1118 CE2 PHE B 116 103.562 48.413 54.354 1.00 64.80 C ATOM 1119 CZ PHE B 116 103.745 48.767 53.020 1.00 55.64 C ATOM 1120 H PHE B 116 98.302 48.551 52.794 1.00 0.00 H TER 1121 PHE B 116 ATOM 1122 N ARG B 120 107.695 47.529 59.150 1.00 66.75 N ATOM 1123 CA ARG B 120 108.978 46.848 58.984 1.00 68.61 C ATOM 1124 C ARG B 120 109.706 47.362 57.749 1.00 66.78 C ATOM 1125 O ARG B 120 109.348 46.997 56.626 1.00 66.50 O ATOM 1126 CB ARG B 120 108.780 45.329 58.873 1.00 73.25 C ATOM 1127 CG ARG B 120 108.374 44.635 60.174 1.00 74.68 C ATOM 1128 CD ARG B 120 109.339 43.505 60.537 1.00 80.95 C ATOM 1129 NE ARG B 120 110.224 43.850 61.653 1.00 81.20 N ATOM 1130 CZ ARG B 120 111.499 44.207 61.521 1.00 75.79 C ATOM 1131 NH1 ARG B 120 112.223 44.504 62.592 1.00 74.64 N ATOM 1132 NH2 ARG B 120 112.052 44.265 60.318 1.00 76.24 N ATOM 1133 HE ARG B 120 109.828 43.813 62.614 1.00 0.00 H ATOM 1134 HH12 ARG B 120 113.219 44.783 62.485 1.00 0.00 H ATOM 1135 HH11 ARG B 120 111.794 44.458 63.538 1.00 0.00 H ATOM 1136 HH22 ARG B 120 113.049 44.544 60.217 1.00 0.00 H ATOM 1137 HH21 ARG B 120 111.489 44.031 59.475 1.00 0.00 H ATOM 1138 HN3 ARG B 120 107.101 47.356 58.314 1.00 0.00 H ATOM 1139 HN2 ARG B 120 107.857 48.551 59.256 1.00 0.00 H ATOM 1140 HN1 ARG B 120 107.217 47.163 59.998 1.00 0.00 H ATOM 1141 N PRO B 121 110.745 48.195 57.950 1.00 61.14 N ATOM 1142 CA PRO B 121 111.486 48.775 56.824 1.00 58.74 C ATOM 1143 C PRO B 121 112.171 47.683 55.999 1.00 58.09 C ATOM 1144 O PRO B 121 112.223 46.532 56.438 1.00 60.37 O ATOM 1145 CB PRO B 121 112.517 49.675 57.510 1.00 58.61 C ATOM 1146 CG PRO B 121 112.724 49.049 58.845 1.00 60.79 C ATOM 1147 CD PRO B 121 111.370 48.521 59.243 1.00 63.16 C ATOM 1148 N PHE B 122 112.679 48.032 54.821 1.00 56.38 N ATOM 1149 CA PHE B 122 113.130 47.024 53.869 1.00 41.78 C ATOM 1150 C PHE B 122 114.510 46.486 54.213 1.00 38.84 C ATOM 1151 O PHE B 122 115.490 47.231 54.212 1.00 41.98 O ATOM 1152 CB PHE B 122 113.115 47.599 52.448 1.00 38.82 C ATOM 1153 CG PHE B 122 113.349 46.568 51.372 1.00 37.85 C ATOM 1154 CD1 PHE B 122 112.526 45.452 51.277 1.00 34.64 C ATOM 1155 CD2 PHE B 122 114.377 46.716 50.451 1.00 33.45 C ATOM 1156 CE1 PHE B 122 112.730 44.493 50.300 1.00 28.62 C ATOM 1157 CE2 PHE B 122 114.586 45.751 49.457 1.00 29.45 C ATOM 1158 CZ PHE B 122 113.756 44.638 49.390 1.00 25.00 C ATOM 1159 H PHE B 122 112.756 49.040 54.575 1.00 0.00 H ATOM 1160 N HIS B 123 114.581 45.194 54.525 1.00 36.24 N ATOM 1161 CA HIS B 123 115.863 44.509 54.686 1.00 35.89 C ATOM 1162 C HIS B 123 115.932 43.380 53.665 1.00 30.43 C ATOM 1163 O HIS B 123 115.529 42.243 53.960 1.00 26.53 O ATOM 1164 CB HIS B 123 116.018 43.918 56.095 1.00 46.13 C ATOM 1165 CG HIS B 123 115.547 44.820 57.196 1.00 54.39 C ATOM 1166 ND1 HIS B 123 116.263 45.920 57.621 1.00 58.73 N ATOM 1167 CD2 HIS B 123 114.437 44.775 57.972 1.00 56.64 C ATOM 1168 CE1 HIS B 123 115.610 46.518 58.602 1.00 54.04 C ATOM 1169 NE2 HIS B 123 114.498 45.843 58.833 1.00 58.74 N ATOM 1170 H HIS B 123 113.700 44.657 54.658 1.00 0.00 H ATOM 1171 N PRO B 124 116.433 43.684 52.457 1.00 26.73 N ATOM 1172 CA PRO B 124 116.421 42.663 51.401 1.00 25.18 C ATOM 1173 C PRO B 124 117.217 41.418 51.809 1.00 23.14 C ATOM 1174 O PRO B 124 118.365 41.539 52.262 1.00 24.58 O ATOM 1175 CB PRO B 124 117.084 43.372 50.210 1.00 26.55 C ATOM 1176 CG PRO B 124 117.865 44.522 50.805 1.00 26.51 C ATOM 1177 CD PRO B 124 117.075 44.938 52.028 1.00 28.43 C ATOM 1178 N HIS B 125 116.620 40.236 51.657 1.00 19.34 N ATOM 1179 CA HIS B 125 117.310 39.009 52.031 1.00 21.16 C ATOM 1180 C HIS B 125 116.741 37.820 51.283 1.00 20.82 C ATOM 1181 O HIS B 125 115.661 37.903 50.706 1.00 21.27 O ATOM 1182 CB HIS B 125 117.148 38.768 53.529 1.00 22.86 C ATOM 1183 CG HIS B 125 115.732 38.512 53.931 1.00 22.01 C ATOM 1184 ND1 HIS B 125 114.810 39.529 54.093 1.00 23.59 N ATOM 1185 CD2 HIS B 125 115.063 37.355 54.146 1.00 24.70 C ATOM 1186 CE1 HIS B 125 113.639 39.008 54.412 1.00 27.80 C ATOM 1187 NE2 HIS B 125 113.764 37.690 54.456 1.00 28.00 N ATOM 1188 H HIS B 125 115.656 40.190 51.269 1.00 0.00 H ATOM 1189 N ILE B 126 117.468 36.709 51.303 1.00 18.96 N ATOM 1190 CA ILE B 126 116.987 35.457 50.726 1.00 19.25 C ATOM 1191 C ILE B 126 117.040 34.414 51.815 1.00 25.34 C ATOM 1192 O ILE B 126 118.127 34.071 52.297 1.00 24.98 O ATOM 1193 CB ILE B 126 117.903 34.966 49.589 1.00 22.20 C ATOM 1194 CG1 ILE B 126 117.854 35.953 48.422 1.00 17.98 C ATOM 1195 CG2 ILE B 126 117.512 33.546 49.152 1.00 18.80 C ATOM 1196 CD1 ILE B 126 119.086 35.912 47.529 1.00 23.56 C ATOM 1197 H ILE B 126 118.410 36.731 51.744 1.00 0.00 H ATOM 1198 N THR B 127 115.880 33.900 52.202 1.00 24.33 N ATOM 1199 CA THR B 127 115.811 32.964 53.315 1.00 25.83 C ATOM 1200 C THR B 127 116.233 31.581 52.870 1.00 27.85 C ATOM 1201 O THR B 127 115.776 31.087 51.828 1.00 25.43 O ATOM 1202 CB THR B 127 114.396 32.948 53.905 1.00 28.50 C ATOM 1203 OG1 THR B 127 114.141 34.237 54.458 1.00 26.29 O ATOM 1204 CG2 THR B 127 114.254 31.882 54.999 1.00 32.31 C ATOM 1205 HG1 THR B 127 113.231 34.254 54.847 1.00 0.00 H ATOM 1206 H THR B 127 115.008 34.169 51.704 1.00 0.00 H ATOM 1207 N LEU B 128 117.113 30.957 53.656 1.00 28.60 N ATOM 1208 CA LEU B 128 117.664 29.646 53.308 1.00 30.45 C ATOM 1209 C LEU B 128 117.118 28.535 54.200 1.00 31.33 C ATOM 1210 O LEU B 128 116.963 27.397 53.753 1.00 27.60 O ATOM 1211 CB LEU B 128 119.188 29.648 53.437 1.00 30.64 C ATOM 1212 CG LEU B 128 120.006 30.660 52.652 1.00 33.98 C ATOM 1213 CD1 LEU B 128 121.439 30.214 52.679 1.00 30.08 C ATOM 1214 CD2 LEU B 128 119.508 30.736 51.219 1.00 33.50 C ATOM 1215 H LEU B 128 117.415 31.415 54.540 1.00 0.00 H ATOM 1216 N LEU B 129 116.867 28.879 55.462 1.00 29.97 N ATOM 1217 CA LEU B 129 116.315 27.961 56.460 1.00 30.25 C ATOM 1218 C LEU B 129 115.199 28.632 57.268 1.00 35.60 C ATOM 1219 O LEU B 129 115.352 29.783 57.698 1.00 29.62 O ATOM 1220 CB LEU B 129 117.396 27.534 57.455 1.00 27.55 C ATOM 1221 CG LEU B 129 118.657 26.831 56.966 1.00 31.09 C ATOM 1222 CD1 LEU B 129 119.697 26.811 58.067 1.00 34.73 C ATOM 1223 CD2 LEU B 129 118.335 25.424 56.511 1.00 34.37 C ATOM 1224 H LEU B 129 117.075 29.855 55.755 1.00 0.00 H ATOM 1225 N ARG B 130 114.098 27.905 57.489 1.00 31.89 N ATOM 1226 CA ARG B 130 113.026 28.372 58.368 1.00 34.03 C ATOM 1227 C ARG B 130 112.920 27.468 59.597 1.00 40.62 C ATOM 1228 O ARG B 130 113.498 26.374 59.624 1.00 36.56 O ATOM 1229 CB ARG B 130 111.681 28.412 57.638 1.00 37.70 C ATOM 1230 CG ARG B 130 111.680 29.222 56.350 1.00 40.70 C ATOM 1231 CD ARG B 130 110.273 29.682 55.987 1.00 42.89 C ATOM 1232 NE ARG B 130 110.226 30.224 54.635 1.00 50.01 N ATOM 1233 CZ ARG B 130 110.361 31.512 54.327 1.00 51.31 C ATOM 1234 NH1 ARG B 130 110.545 32.425 55.279 1.00 48.28 N ATOM 1235 NH2 ARG B 130 110.313 31.886 53.054 1.00 49.59 N ATOM 1236 HE ARG B 130 110.076 29.555 53.853 1.00 0.00 H ATOM 1237 HH12 ARG B 130 110.649 33.428 55.024 1.00 0.00 H ATOM 1238 HH11 ARG B 130 110.585 32.135 56.277 1.00 0.00 H ATOM 1239 HH22 ARG B 130 110.417 32.890 52.803 1.00 0.00 H ATOM 1240 HH21 ARG B 130 110.171 31.175 52.308 1.00 0.00 H ATOM 1241 H ARG B 130 114.001 26.981 57.022 1.00 0.00 H ATOM 1242 N ASP B 131 112.171 27.927 60.601 1.00 41.45 N ATOM 1243 CA ASP B 131 112.108 27.245 61.890 1.00 43.89 C ATOM 1244 C ASP B 131 113.511 27.018 62.449 1.00 42.56 C ATOM 1245 O ASP B 131 113.800 25.964 63.013 1.00 42.82 O ATOM 1246 CB ASP B 131 111.382 25.902 61.767 1.00 43.72 C ATOM 1247 CG ASP B 131 110.014 26.034 61.138 1.00 51.17 C ATOM 1248 OD1 ASP B 131 109.344 27.068 61.362 1.00 55.72 O ATOM 1249 OD2 ASP B 131 109.608 25.094 60.422 1.00 52.91 O ATOM 1250 H ASP B 131 111.616 28.795 60.461 1.00 0.00 H ATOM 1251 N ALA B 132 114.395 27.988 62.247 1.00 42.60 N ATOM 1252 CA ALA B 132 115.716 27.925 62.853 1.00 44.04 C ATOM 1253 C ALA B 132 115.680 28.733 64.143 1.00 50.30 C ATOM 1254 O ALA B 132 116.247 29.826 64.227 1.00 51.15 O ATOM 1255 CB ALA B 132 116.766 28.467 61.911 1.00 40.69 C ATOM 1256 H ALA B 132 114.141 28.801 61.650 1.00 0.00 H ATOM 1257 N SER B 133 114.990 28.201 65.144 1.00 52.11 N ATOM 1258 CA SER B 133 114.830 28.913 66.404 1.00 57.40 C ATOM 1259 C SER B 133 116.140 28.929 67.183 1.00 59.00 C ATOM 1260 O SER B 133 116.483 29.915 67.837 1.00 55.91 O ATOM 1261 CB SER B 133 113.735 28.269 67.243 1.00 55.00 C ATOM 1262 OG SER B 133 113.698 28.883 68.515 1.00 68.67 O ATOM 1263 HG SER B 133 114.573 28.764 68.963 1.00 0.00 H ATOM 1264 H SER B 133 114.558 27.262 65.027 1.00 0.00 H ATOM 1265 N GLU B 134 116.864 27.818 67.100 1.00 60.22 N ATOM 1266 CA GLU B 134 118.165 27.674 67.735 1.00 55.21 C ATOM 1267 C GLU B 134 119.226 28.469 66.976 1.00 57.20 C ATOM 1268 O GLU B 134 119.397 28.290 65.766 1.00 52.36 O ATOM 1269 CB GLU B 134 118.543 26.194 67.749 1.00 62.42 C ATOM 1270 CG GLU B 134 118.113 25.459 66.470 1.00 64.31 C ATOM 1271 CD GLU B 134 118.688 24.052 66.360 1.00 67.54 C ATOM 1272 OE1 GLU B 134 118.509 23.252 67.309 1.00 71.08 O ATOM 1273 OE2 GLU B 134 119.315 23.747 65.319 1.00 59.13 O ATOM 1274 H GLU B 134 116.484 27.016 66.557 1.00 0.00 H ATOM 1275 N ALA B 135 119.924 29.354 67.685 1.00 54.22 N ATOM 1276 CA ALA B 135 121.062 30.081 67.122 1.00 48.09 C ATOM 1277 C ALA B 135 122.140 29.124 66.583 1.00 49.65 C ATOM 1278 O ALA B 135 122.547 28.188 67.274 1.00 46.99 O ATOM 1279 CB ALA B 135 121.654 31.019 68.169 1.00 42.86 C ATOM 1280 H ALA B 135 119.651 29.535 68.672 1.00 0.00 H ATOM 1281 N VAL B 136 122.594 29.351 65.349 1.00 47.36 N ATOM 1282 CA VAL B 136 123.624 28.500 64.750 1.00 42.68 C ATOM 1283 C VAL B 136 124.799 29.328 64.221 1.00 45.16 C ATOM 1284 O VAL B 136 124.662 30.538 64.010 1.00 44.75 O ATOM 1285 CB VAL B 136 123.059 27.625 63.607 1.00 47.08 C ATOM 1286 CG1 VAL B 136 121.957 26.706 64.120 1.00 51.67 C ATOM 1287 CG2 VAL B 136 122.532 28.493 62.481 1.00 43.15 C ATOM 1288 H VAL B 136 122.209 30.148 64.802 1.00 0.00 H ATOM 1289 N THR B 137 125.951 28.683 64.011 1.00 41.63 N ATOM 1290 CA THR B 137 127.136 29.376 63.484 1.00 44.08 C ATOM 1291 C THR B 137 126.899 29.805 62.034 1.00 39.52 C ATOM 1292 O THR B 137 126.428 29.005 61.221 1.00 36.98 O ATOM 1293 CB THR B 137 128.402 28.484 63.539 1.00 45.60 C ATOM 1294 OG1 THR B 137 128.123 27.221 62.921 1.00 52.31 O ATOM 1295 CG2 THR B 137 128.847 28.240 64.988 1.00 44.71 C ATOM 1296 HG1 THR B 137 127.862 27.367 61.977 1.00 0.00 H ATOM 1297 H THR B 137 126.010 27.667 64.225 1.00 0.00 H ATOM 1298 N ILE B 138 127.217 31.053 61.701 1.00 38.65 N ATOM 1299 CA ILE B 138 126.988 31.523 60.329 1.00 41.24 C ATOM 1300 C ILE B 138 128.268 31.881 59.572 1.00 34.71 C ATOM 1301 O ILE B 138 128.826 32.957 59.782 1.00 40.69 O ATOM 1302 CB ILE B 138 126.062 32.748 60.270 1.00 35.75 C ATOM 1303 CG1 ILE B 138 124.888 32.600 61.242 1.00 33.93 C ATOM 1304 CG2 ILE B 138 125.546 32.941 58.834 1.00 30.22 C ATOM 1305 CD1 ILE B 138 123.943 31.494 60.853 1.00 36.89 C ATOM 1306 H ILE B 138 127.627 31.694 62.410 1.00 0.00 H ATOM 1307 N PRO B 139 128.707 30.999 58.655 1.00 31.14 N ATOM 1308 CA PRO B 139 129.918 31.241 57.855 1.00 33.64 C ATOM 1309 C PRO B 139 129.648 32.271 56.758 1.00 27.65 C ATOM 1310 O PRO B 139 128.497 32.493 56.437 1.00 26.96 O ATOM 1311 CB PRO B 139 130.191 29.873 57.222 1.00 31.35 C ATOM 1312 CG PRO B 139 128.849 29.251 57.088 1.00 34.34 C ATOM 1313 CD PRO B 139 128.045 29.734 58.287 1.00 30.79 C ATOM 1314 N PRO B 140 130.693 32.891 56.192 1.00 34.19 N ATOM 1315 CA PRO B 140 130.409 33.798 55.074 1.00 28.73 C ATOM 1316 C PRO B 140 129.808 33.034 53.886 1.00 23.48 C ATOM 1317 O PRO B 140 129.955 31.817 53.790 1.00 22.82 O ATOM 1318 CB PRO B 140 131.790 34.360 54.716 1.00 28.60 C ATOM 1319 CG PRO B 140 132.782 33.343 55.242 1.00 24.98 C ATOM 1320 CD PRO B 140 132.136 32.764 56.471 1.00 33.20 C ATOM 1321 N PRO B 141 129.106 33.738 52.993 1.00 23.69 N ATOM 1322 CA PRO B 141 128.597 33.068 51.791 1.00 23.24 C ATOM 1323 C PRO B 141 129.744 32.663 50.843 1.00 23.28 C ATOM 1324 O PRO B 141 130.901 33.025 51.078 1.00 20.64 O ATOM 1325 CB PRO B 141 127.731 34.140 51.136 1.00 25.22 C ATOM 1326 CG PRO B 141 128.301 35.438 51.615 1.00 26.35 C ATOM 1327 CD PRO B 141 128.771 35.172 53.022 1.00 25.83 C ATOM 1328 N GLY B 142 129.436 31.909 49.794 1.00 21.27 N ATOM 1329 CA GLY B 142 130.472 31.468 48.880 1.00 19.01 C ATOM 1330 C GLY B 142 130.985 32.616 48.044 1.00 20.91 C ATOM 1331 O GLY B 142 130.481 33.745 48.128 1.00 18.96 O ATOM 1332 H GLY B 142 128.447 31.633 49.627 1.00 0.00 H ATOM 1333 N PHE B 143 131.981 32.323 47.221 1.00 20.94 N ATOM 1334 CA PHE B 143 132.637 33.325 46.398 1.00 19.27 C ATOM 1335 C PHE B 143 131.851 33.635 45.127 1.00 19.26 C ATOM 1336 O PHE B 143 131.325 32.732 44.480 1.00 16.96 O ATOM 1337 CB PHE B 143 134.053 32.838 46.025 1.00 19.07 C ATOM 1338 CG PHE B 143 134.667 33.587 44.881 1.00 19.62 C ATOM 1339 CD1 PHE B 143 134.869 34.960 44.958 1.00 20.51 C ATOM 1340 CD2 PHE B 143 135.033 32.921 43.713 1.00 19.68 C ATOM 1341 CE1 PHE B 143 135.436 35.657 43.894 1.00 19.55 C ATOM 1342 CE2 PHE B 143 135.601 33.618 42.650 1.00 16.96 C ATOM 1343 CZ PHE B 143 135.811 34.978 42.753 1.00 18.79 C ATOM 1344 H PHE B 143 132.306 31.337 47.162 1.00 0.00 H ATOM 1345 N ASN B 144 131.749 34.922 44.795 1.00 16.86 N ATOM 1346 CA ASN B 144 131.292 35.351 43.461 1.00 21.07 C ATOM 1347 C ASN B 144 129.811 35.066 43.159 1.00 19.00 C ATOM 1348 O ASN B 144 129.411 34.896 41.989 1.00 17.03 O ATOM 1349 CB ASN B 144 132.217 34.782 42.360 1.00 17.99 C ATOM 1350 CG ASN B 144 132.541 35.804 41.276 1.00 20.53 C ATOM 1351 OD1 ASN B 144 132.537 37.013 41.521 1.00 21.78 O ATOM 1352 ND2 ASN B 144 132.846 35.318 40.066 1.00 20.33 N ATOM 1353 HD22 ASN B 144 132.838 34.291 39.901 1.00 0.00 H ATOM 1354 HD21 ASN B 144 133.091 35.967 39.291 1.00 0.00 H ATOM 1355 H ASN B 144 132.000 35.646 45.499 1.00 0.00 H ATOM 1356 N TRP B 145 128.982 35.060 44.209 1.00 15.27 N ATOM 1357 CA TRP B 145 127.537 34.962 44.032 1.00 15.90 C ATOM 1358 C TRP B 145 126.982 36.310 43.615 1.00 18.47 C ATOM 1359 O TRP B 145 126.332 37.013 44.412 1.00 16.71 O ATOM 1360 CB TRP B 145 126.842 34.499 45.324 1.00 16.71 C ATOM 1361 CG TRP B 145 127.216 33.093 45.715 1.00 18.47 C ATOM 1362 CD1 TRP B 145 127.998 32.231 45.004 1.00 22.83 C ATOM 1363 CD2 TRP B 145 126.838 32.395 46.917 1.00 20.72 C ATOM 1364 NE1 TRP B 145 128.125 31.037 45.686 1.00 20.23 N ATOM 1365 CE2 TRP B 145 127.413 31.113 46.855 1.00 19.58 C ATOM 1366 CE3 TRP B 145 126.073 32.737 48.042 1.00 21.18 C ATOM 1367 CZ2 TRP B 145 127.241 30.164 47.866 1.00 20.62 C ATOM 1368 CZ3 TRP B 145 125.891 31.791 49.043 1.00 21.56 C ATOM 1369 CH2 TRP B 145 126.485 30.523 48.952 1.00 25.58 C ATOM 1370 HE1 TRP B 145 128.672 30.213 45.365 1.00 0.00 H ATOM 1371 H TRP B 145 129.375 35.126 45.170 1.00 0.00 H ATOM 1372 N SER B 146 127.222 36.659 42.359 1.00 14.85 N ATOM 1373 CA SER B 146 126.918 37.980 41.844 1.00 15.23 C ATOM 1374 C SER B 146 126.256 37.856 40.482 1.00 20.52 C ATOM 1375 O SER B 146 126.700 37.060 39.654 1.00 17.45 O ATOM 1376 CB SER B 146 128.225 38.768 41.701 1.00 20.52 C ATOM 1377 OG SER B 146 128.013 40.095 41.246 1.00 18.22 O ATOM 1378 HG SER B 146 127.436 40.576 41.891 1.00 0.00 H ATOM 1379 H SER B 146 127.645 35.958 41.718 1.00 0.00 H ATOM 1380 N TYR B 147 125.203 38.634 40.234 1.00 16.57 N ATOM 1381 CA TYR B 147 124.516 38.520 38.947 1.00 19.41 C ATOM 1382 C TYR B 147 123.693 39.747 38.573 1.00 21.06 C ATOM 1383 O TYR B 147 123.353 40.569 39.438 1.00 18.69 O ATOM 1384 CB TYR B 147 123.637 37.262 38.932 1.00 21.97 C ATOM 1385 CG TYR B 147 122.466 37.315 39.904 1.00 19.15 C ATOM 1386 CD1 TYR B 147 121.197 37.667 39.469 1.00 19.22 C ATOM 1387 CD2 TYR B 147 122.627 36.998 41.236 1.00 17.14 C ATOM 1388 CE1 TYR B 147 120.133 37.710 40.328 1.00 17.96 C ATOM 1389 CE2 TYR B 147 121.548 37.037 42.122 1.00 17.96 C ATOM 1390 CZ TYR B 147 120.310 37.404 41.657 1.00 20.89 C ATOM 1391 OH TYR B 147 119.234 37.446 42.515 1.00 23.95 O ATOM 1392 HH TYR B 147 118.427 37.728 42.016 1.00 0.00 H ATOM 1393 H TYR B 147 124.873 39.315 40.947 1.00 0.00 H ATOM 1394 N ALA B 148 123.359 39.851 37.283 1.00 15.74 N ATOM 1395 CA ALA B 148 122.588 40.968 36.778 1.00 16.29 C ATOM 1396 C ALA B 148 121.115 40.668 36.981 1.00 19.61 C ATOM 1397 O ALA B 148 120.622 39.622 36.541 1.00 19.06 O ATOM 1398 CB ALA B 148 122.893 41.216 35.258 1.00 13.67 C ATOM 1399 H ALA B 148 123.662 39.107 36.622 1.00 0.00 H ATOM 1400 N VAL B 149 120.404 41.575 37.649 1.00 14.53 N ATOM 1401 CA VAL B 149 118.960 41.426 37.798 1.00 14.26 C ATOM 1402 C VAL B 149 118.283 42.088 36.609 1.00 16.84 C ATOM 1403 O VAL B 149 118.436 43.284 36.403 1.00 18.95 O ATOM 1404 CB VAL B 149 118.470 42.082 39.086 1.00 17.07 C ATOM 1405 CG1 VAL B 149 116.935 41.950 39.202 1.00 14.37 C ATOM 1406 CG2 VAL B 149 119.161 41.439 40.280 1.00 15.00 C ATOM 1407 H VAL B 149 120.883 42.397 38.068 1.00 0.00 H ATOM 1408 N THR B 150 117.546 41.315 35.815 1.00 16.61 N ATOM 1409 CA THR B 150 117.012 41.835 34.558 1.00 17.01 C ATOM 1410 C THR B 150 115.506 42.053 34.612 1.00 18.76 C ATOM 1411 O THR B 150 114.915 42.623 33.690 1.00 20.61 O ATOM 1412 CB THR B 150 117.278 40.853 33.424 1.00 18.90 C ATOM 1413 OG1 THR B 150 116.527 39.670 33.686 1.00 16.68 O ATOM 1414 CG2 THR B 150 118.785 40.495 33.353 1.00 21.93 C ATOM 1415 HG1 THR B 150 116.683 39.014 32.961 1.00 0.00 H ATOM 1416 H THR B 150 117.348 40.332 36.092 1.00 0.00 H ATOM 1417 N GLU B 151 114.873 41.567 35.674 1.00 14.62 N ATOM 1418 CA GLU B 151 113.423 41.637 35.758 1.00 19.30 C ATOM 1419 C GLU B 151 112.915 41.426 37.188 1.00 18.23 C ATOM 1420 O GLU B 151 113.677 41.077 38.088 1.00 13.63 O ATOM 1421 CB GLU B 151 112.772 40.655 34.765 1.00 18.40 C ATOM 1422 CG GLU B 151 113.214 39.228 34.907 1.00 19.31 C ATOM 1423 CD GLU B 151 112.710 38.303 33.797 1.00 19.51 C ATOM 1424 OE1 GLU B 151 112.430 38.775 32.676 1.00 20.57 O ATOM 1425 OE2 GLU B 151 112.618 37.077 34.036 1.00 17.72 O ATOM 1426 H GLU B 151 115.417 41.135 36.448 1.00 0.00 H ATOM 1427 N PHE B 152 111.633 41.692 37.411 1.00 18.90 N ATOM 1428 CA PHE B 152 111.010 41.284 38.661 1.00 14.75 C ATOM 1429 C PHE B 152 109.681 40.594 38.367 1.00 18.21 C ATOM 1430 O PHE B 152 109.137 40.730 37.274 1.00 16.55 O ATOM 1431 CB PHE B 152 110.870 42.450 39.654 1.00 17.65 C ATOM 1432 CG PHE B 152 109.891 43.507 39.228 1.00 20.59 C ATOM 1433 CD1 PHE B 152 108.625 43.570 39.795 1.00 18.06 C ATOM 1434 CD2 PHE B 152 110.237 44.442 38.267 1.00 18.88 C ATOM 1435 CE1 PHE B 152 107.714 44.559 39.400 1.00 19.23 C ATOM 1436 CE2 PHE B 152 109.338 45.428 37.873 1.00 19.38 C ATOM 1437 CZ PHE B 152 108.075 45.491 38.452 1.00 18.46 C ATOM 1438 H PHE B 152 111.074 42.193 36.691 1.00 0.00 H ATOM 1439 N THR B 153 109.189 39.811 39.325 1.00 17.70 N ATOM 1440 CA THR B 153 108.057 38.924 39.053 1.00 19.56 C ATOM 1441 C THR B 153 106.967 39.056 40.108 1.00 18.04 C ATOM 1442 O THR B 153 107.277 39.291 41.279 1.00 17.71 O ATOM 1443 CB THR B 153 108.535 37.467 38.957 1.00 18.32 C ATOM 1444 OG1 THR B 153 109.397 37.359 37.817 1.00 22.62 O ATOM 1445 CG2 THR B 153 107.369 36.497 38.799 1.00 17.69 C ATOM 1446 HG1 THR B 153 110.170 37.967 37.931 1.00 0.00 H ATOM 1447 H THR B 153 109.613 39.830 40.275 1.00 0.00 H ATOM 1448 N LEU B 154 105.704 38.937 39.680 1.00 19.51 N ATOM 1449 CA LEU B 154 104.575 38.830 40.612 1.00 20.92 C ATOM 1450 C LEU B 154 104.251 37.360 40.824 1.00 22.28 C ATOM 1451 O LEU B 154 104.097 36.601 39.847 1.00 19.64 O ATOM 1452 CB LEU B 154 103.329 39.537 40.061 1.00 20.75 C ATOM 1453 CG LEU B 154 102.039 39.308 40.858 1.00 19.89 C ATOM 1454 CD1 LEU B 154 102.149 39.958 42.228 1.00 20.12 C ATOM 1455 CD2 LEU B 154 100.873 39.900 40.085 1.00 19.60 C ATOM 1456 H LEU B 154 105.517 38.920 38.657 1.00 0.00 H ATOM 1457 N TYR B 155 104.149 36.964 42.093 1.00 19.29 N ATOM 1458 CA TYR B 155 103.973 35.560 42.460 1.00 23.37 C ATOM 1459 C TYR B 155 102.709 35.365 43.297 1.00 28.34 C ATOM 1460 O TYR B 155 102.355 36.217 44.115 1.00 27.52 O ATOM 1461 CB TYR B 155 105.166 35.056 43.291 1.00 24.80 C ATOM 1462 CG TYR B 155 106.399 34.649 42.506 1.00 25.94 C ATOM 1463 CD1 TYR B 155 106.481 33.390 41.902 1.00 26.56 C ATOM 1464 CD2 TYR B 155 107.499 35.496 42.411 1.00 23.90 C ATOM 1465 CE1 TYR B 155 107.613 33.002 41.184 1.00 29.60 C ATOM 1466 CE2 TYR B 155 108.652 35.115 41.687 1.00 22.98 C ATOM 1467 CZ TYR B 155 108.693 33.866 41.083 1.00 28.82 C ATOM 1468 OH TYR B 155 109.794 33.464 40.371 1.00 29.60 O ATOM 1469 HH TYR B 155 110.586 33.461 40.965 1.00 0.00 H ATOM 1470 H TYR B 155 104.196 37.678 42.847 1.00 0.00 H ATOM 1471 N ALA B 156 102.041 34.236 43.087 1.00 28.29 N ATOM 1472 CA ALA B 156 100.980 33.803 43.980 1.00 31.93 C ATOM 1473 C ALA B 156 101.565 32.715 44.864 1.00 35.96 C ATOM 1474 O ALA B 156 102.298 31.833 44.385 1.00 30.23 O ATOM 1475 CB ALA B 156 99.797 33.262 43.191 1.00 29.55 C ATOM 1476 H ALA B 156 102.283 33.648 42.264 1.00 0.00 H ATOM 1477 N SER B 157 101.268 32.766 46.155 1.00 28.48 N ATOM 1478 CA SER B 157 101.722 31.685 47.016 1.00 37.70 C ATOM 1479 C SER B 157 100.555 30.840 47.492 1.00 43.68 C ATOM 1480 O SER B 157 99.561 31.368 48.006 1.00 43.81 O ATOM 1481 CB SER B 157 102.478 32.229 48.207 1.00 34.11 C ATOM 1482 OG SER B 157 101.648 33.081 48.959 1.00 45.64 O ATOM 1483 HG SER B 157 102.153 33.431 49.735 1.00 0.00 H ATOM 1484 H SER B 157 100.722 33.561 46.544 1.00 0.00 H ATOM 1485 N SER B 158 100.677 29.530 47.316 1.00 45.47 N ATOM 1486 CA SER B 158 99.662 28.602 47.791 1.00 54.41 C ATOM 1487 C SER B 158 100.295 27.595 48.734 1.00 63.68 C ATOM 1488 O SER B 158 101.291 27.888 49.397 1.00 62.57 O ATOM 1489 CB SER B 158 99.018 27.864 46.623 1.00 55.65 C ATOM 1490 OG SER B 158 99.917 26.922 46.071 1.00 60.38 O ATOM 1491 HG SER B 158 100.727 27.391 45.747 1.00 0.00 H ATOM 1492 H SER B 158 101.517 29.159 46.828 1.00 0.00 H ATOM 1493 N PHE B 159 99.716 26.399 48.772 1.00 70.41 N ATOM 1494 CA PHE B 159 100.148 25.353 49.692 1.00 73.04 C ATOM 1495 C PHE B 159 100.001 23.986 49.021 1.00 76.18 C ATOM 1496 O PHE B 159 99.009 23.283 49.228 1.00 75.79 O ATOM 1497 CB PHE B 159 99.304 25.421 50.965 1.00 74.16 C ATOM 1498 CG PHE B 159 99.854 24.629 52.111 1.00 79.80 C ATOM 1499 CD1 PHE B 159 100.718 25.213 53.024 1.00 81.52 C ATOM 1500 CD2 PHE B 159 99.487 23.306 52.295 1.00 84.68 C ATOM 1501 CE1 PHE B 159 101.216 24.486 54.093 1.00 82.74 C ATOM 1502 CE2 PHE B 159 99.978 22.576 53.363 1.00 86.60 C ATOM 1503 CZ PHE B 159 100.846 23.167 54.263 1.00 84.40 C ATOM 1504 H PHE B 159 98.927 26.202 48.123 1.00 0.00 H ATOM 1505 N ALA B 160 100.997 23.623 48.215 1.00 76.86 N ATOM 1506 CA ALA B 160 100.952 22.405 47.404 1.00 80.59 C ATOM 1507 C ALA B 160 101.052 21.113 48.223 1.00 83.87 C ATOM 1508 O ALA B 160 102.049 20.391 48.128 1.00 84.88 O ATOM 1509 CB ALA B 160 102.045 22.441 46.344 1.00 71.41 C ATOM 1510 H ALA B 160 101.840 24.229 48.159 1.00 0.00 H ATOM 1511 N ARG B 161 100.006 20.822 49.001 1.00 83.61 N ATOM 1512 CA ARG B 161 99.907 19.602 49.815 1.00 83.30 C ATOM 1513 C ARG B 161 101.108 19.396 50.743 1.00 84.46 C ATOM 1514 O ARG B 161 101.917 18.495 50.528 1.00 84.87 O ATOM 1515 CB ARG B 161 99.713 18.366 48.923 1.00 78.41 C ATOM 1516 CG ARG B 161 98.940 18.635 47.630 1.00 76.75 C ATOM 1517 CD ARG B 161 99.798 18.330 46.406 1.00 79.17 C ATOM 1518 NE ARG B 161 101.223 18.470 46.700 1.00 84.25 N ATOM 1519 CZ ARG B 161 102.197 18.344 45.804 1.00 84.88 C ATOM 1520 NH1 ARG B 161 101.909 18.076 44.537 1.00 88.35 N ATOM 1521 NH2 ARG B 161 103.461 18.488 46.177 1.00 86.49 N ATOM 1522 HE ARG B 161 101.495 18.684 47.681 1.00 0.00 H ATOM 1523 HH12 ARG B 161 102.674 17.978 43.839 1.00 0.00 H ATOM 1524 HH11 ARG B 161 100.918 17.964 44.241 1.00 0.00 H ATOM 1525 HH22 ARG B 161 104.224 18.390 45.477 1.00 0.00 H ATOM 1526 HH21 ARG B 161 103.689 18.699 47.169 1.00 0.00 H ATOM 1527 H ARG B 161 99.216 21.498 49.033 1.00 0.00 H ATOM 1528 N GLY B 162 101.217 20.224 51.777 1.00 83.92 N ATOM 1529 CA GLY B 162 102.365 20.177 52.666 1.00 84.41 C ATOM 1530 C GLY B 162 103.401 21.227 52.302 1.00 82.94 C ATOM 1531 O GLY B 162 103.512 22.261 52.961 1.00 84.31 O ATOM 1532 H GLY B 162 100.465 20.920 51.953 1.00 0.00 H ATOM 1533 N ARG B 163 104.162 20.965 51.244 1.00 82.52 N ATOM 1534 CA ARG B 163 105.187 21.900 50.789 1.00 78.82 C ATOM 1535 C ARG B 163 104.582 23.131 50.104 1.00 76.00 C ATOM 1536 O ARG B 163 103.648 23.018 49.310 1.00 76.87 O ATOM 1537 CB ARG B 163 106.182 21.192 49.866 1.00 79.37 C ATOM 1538 CG ARG B 163 107.171 20.294 50.604 1.00 84.53 C ATOM 1539 CD ARG B 163 108.602 20.824 50.509 1.00 85.38 C ATOM 1540 NE ARG B 163 109.310 20.295 49.344 1.00 85.79 N ATOM 1541 CZ ARG B 163 109.324 20.874 48.147 1.00 82.71 C ATOM 1542 NH1 ARG B 163 109.995 20.317 47.146 1.00 78.26 N ATOM 1543 NH2 ARG B 163 108.668 22.012 47.951 1.00 76.61 N ATOM 1544 HE ARG B 163 109.838 19.406 49.459 1.00 0.00 H ATOM 1545 HH12 ARG B 163 110.005 20.771 46.210 1.00 0.00 H ATOM 1546 HH11 ARG B 163 110.511 19.427 47.297 1.00 0.00 H ATOM 1547 HH22 ARG B 163 108.679 22.464 47.015 1.00 0.00 H ATOM 1548 HH21 ARG B 163 108.143 22.451 48.734 1.00 0.00 H ATOM 1549 H ARG B 163 104.024 20.073 50.728 1.00 0.00 H ATOM 1550 N THR B 164 105.111 24.308 50.427 1.00 71.71 N ATOM 1551 CA THR B 164 104.607 25.557 49.861 1.00 65.92 C ATOM 1552 C THR B 164 105.118 25.756 48.434 1.00 56.38 C ATOM 1553 O THR B 164 106.221 25.326 48.101 1.00 50.31 O ATOM 1554 CB THR B 164 104.978 26.776 50.742 1.00 67.17 C ATOM 1555 OG1 THR B 164 105.970 26.396 51.703 1.00 62.34 O ATOM 1556 CG2 THR B 164 103.752 27.292 51.484 1.00 63.79 C ATOM 1557 HG1 THR B 164 106.203 27.179 52.263 1.00 0.00 H ATOM 1558 H THR B 164 105.904 24.340 51.100 1.00 0.00 H ATOM 1559 N ARG B 165 104.305 26.383 47.587 1.00 52.65 N ATOM 1560 CA ARG B 165 104.713 26.633 46.208 1.00 48.60 C ATOM 1561 C ARG B 165 104.434 28.075 45.773 1.00 47.08 C ATOM 1562 O ARG B 165 103.520 28.732 46.288 1.00 44.55 O ATOM 1563 CB ARG B 165 104.051 25.643 45.242 1.00 51.89 C ATOM 1564 CG ARG B 165 102.625 25.990 44.871 1.00 53.79 C ATOM 1565 CD ARG B 165 102.382 25.857 43.370 1.00 58.26 C ATOM 1566 NE ARG B 165 102.478 24.475 42.905 1.00 64.34 N ATOM 1567 CZ ARG B 165 102.346 24.098 41.635 1.00 65.28 C ATOM 1568 NH1 ARG B 165 102.108 25.002 40.693 1.00 63.05 N ATOM 1569 NH2 ARG B 165 102.455 22.816 41.308 1.00 63.55 N ATOM 1570 HE ARG B 165 102.662 23.736 43.614 1.00 0.00 H ATOM 1571 HH12 ARG B 165 102.005 24.705 39.702 1.00 0.00 H ATOM 1572 HH11 ARG B 165 102.024 26.007 40.946 1.00 0.00 H ATOM 1573 HH22 ARG B 165 102.352 22.522 40.316 1.00 0.00 H ATOM 1574 HH21 ARG B 165 102.644 22.106 42.044 1.00 0.00 H ATOM 1575 H ARG B 165 103.369 26.698 47.911 1.00 0.00 H ATOM 1576 N TYR B 166 105.241 28.565 44.835 1.00 41.15 N ATOM 1577 CA TYR B 166 105.058 29.898 44.278 1.00 35.84 C ATOM 1578 C TYR B 166 104.787 29.764 42.783 1.00 35.66 C ATOM 1579 O TYR B 166 105.541 29.110 42.065 1.00 31.32 O ATOM 1580 CB TYR B 166 106.310 30.747 44.494 1.00 33.31 C ATOM 1581 CG TYR B 166 106.766 30.835 45.922 1.00 28.63 C ATOM 1582 CD1 TYR B 166 105.873 31.139 46.943 1.00 35.00 C ATOM 1583 CD2 TYR B 166 108.089 30.604 46.256 1.00 29.80 C ATOM 1584 CE1 TYR B 166 106.292 31.219 48.253 1.00 33.37 C ATOM 1585 CE2 TYR B 166 108.518 30.681 47.563 1.00 31.49 C ATOM 1586 CZ TYR B 166 107.617 30.987 48.558 1.00 34.30 C ATOM 1587 OH TYR B 166 108.037 31.068 49.866 1.00 35.83 O ATOM 1588 HH TYR B 166 107.267 31.295 50.445 1.00 0.00 H ATOM 1589 H TYR B 166 106.027 27.978 44.489 1.00 0.00 H ATOM 1590 N THR B 167 103.710 30.381 42.317 1.00 30.00 N ATOM 1591 CA THR B 167 103.374 30.337 40.903 1.00 31.07 C ATOM 1592 C THR B 167 103.602 31.723 40.315 1.00 27.30 C ATOM 1593 O THR B 167 103.021 32.695 40.801 1.00 26.15 O ATOM 1594 CB THR B 167 101.899 29.934 40.708 1.00 34.04 C ATOM 1595 OG1 THR B 167 101.641 28.728 41.434 1.00 41.26 O ATOM 1596 CG2 THR B 167 101.583 29.715 39.227 1.00 33.86 C ATOM 1597 HG1 THR B 167 101.821 28.878 42.396 1.00 0.00 H ATOM 1598 H THR B 167 103.096 30.905 42.973 1.00 0.00 H ATOM 1599 N PRO B 168 104.463 31.829 39.284 1.00 26.52 N ATOM 1600 CA PRO B 168 104.699 33.140 38.659 1.00 24.12 C ATOM 1601 C PRO B 168 103.465 33.600 37.891 1.00 22.18 C ATOM 1602 O PRO B 168 102.884 32.796 37.167 1.00 25.25 O ATOM 1603 CB PRO B 168 105.851 32.861 37.681 1.00 24.99 C ATOM 1604 CG PRO B 168 105.730 31.408 37.357 1.00 26.86 C ATOM 1605 CD PRO B 168 105.249 30.759 38.641 1.00 26.86 C ATOM 1606 N LEU B 169 103.058 34.855 38.063 1.00 23.25 N ATOM 1607 CA LEU B 169 101.879 35.373 37.376 1.00 21.73 C ATOM 1608 C LEU B 169 102.246 36.350 36.257 1.00 26.37 C ATOM 1609 O LEU B 169 101.670 36.293 35.176 1.00 21.13 O ATOM 1610 CB LEU B 169 100.948 36.073 38.370 1.00 21.44 C ATOM 1611 CG LEU B 169 100.402 35.188 39.507 1.00 27.94 C ATOM 1612 CD1 LEU B 169 99.539 36.006 40.465 1.00 26.98 C ATOM 1613 CD2 LEU B 169 99.607 34.008 38.953 1.00 25.94 C ATOM 1614 H LEU B 169 103.591 35.480 38.700 1.00 0.00 H ATOM 1615 N LYS B 170 103.182 37.262 36.536 1.00 22.39 N ATOM 1616 CA LYS B 170 103.656 38.228 35.547 1.00 20.96 C ATOM 1617 C LYS B 170 105.122 38.568 35.816 1.00 19.76 C ATOM 1618 O LYS B 170 105.579 38.508 36.963 1.00 18.20 O ATOM 1619 CB LYS B 170 102.830 39.520 35.609 1.00 20.24 C ATOM 1620 CG LYS B 170 101.372 39.380 35.191 1.00 29.09 C ATOM 1621 CD LYS B 170 100.596 40.680 35.413 1.00 35.46 C ATOM 1622 CE LYS B 170 99.158 40.529 34.917 1.00 43.14 C ATOM 1623 NZ LYS B 170 99.135 39.760 33.627 1.00 44.33 N ATOM 1624 HZ1 LYS B 170 99.692 40.269 32.911 1.00 0.00 H ATOM 1625 HZ2 LYS B 170 99.545 38.816 33.780 1.00 0.00 H ATOM 1626 HZ3 LYS B 170 98.153 39.664 33.300 1.00 0.00 H ATOM 1627 H LYS B 170 103.588 37.285 37.493 1.00 0.00 H ATOM 1628 N ARG B 171 105.849 38.929 34.761 1.00 21.40 N ATOM 1629 CA ARG B 171 107.204 39.433 34.917 1.00 20.32 C ATOM 1630 C ARG B 171 107.334 40.765 34.190 1.00 20.23 C ATOM 1631 O ARG B 171 106.603 41.030 33.236 1.00 21.29 O ATOM 1632 CB ARG B 171 108.212 38.425 34.358 1.00 20.78 C ATOM 1633 CG ARG B 171 108.074 37.030 34.926 1.00 20.91 C ATOM 1634 CD ARG B 171 109.258 36.167 34.533 1.00 18.28 C ATOM 1635 NE ARG B 171 108.995 34.732 34.677 1.00 26.18 N ATOM 1636 CZ ARG B 171 109.267 34.040 35.781 1.00 25.23 C ATOM 1637 NH1 ARG B 171 109.792 34.664 36.821 1.00 21.76 N ATOM 1638 NH2 ARG B 171 109.016 32.737 35.844 1.00 22.78 N ATOM 1639 HE ARG B 171 108.573 34.227 33.872 1.00 0.00 H ATOM 1640 HH12 ARG B 171 110.009 34.135 37.690 1.00 0.00 H ATOM 1641 HH11 ARG B 171 109.988 35.684 36.771 1.00 0.00 H ATOM 1642 HH22 ARG B 171 109.233 32.207 36.712 1.00 0.00 H ATOM 1643 HH21 ARG B 171 108.603 32.247 35.025 1.00 0.00 H ATOM 1644 H ARG B 171 105.440 38.849 33.808 1.00 0.00 H ATOM 1645 N TRP B 172 108.257 41.604 34.640 1.00 17.86 N ATOM 1646 CA TRP B 172 108.528 42.846 33.946 1.00 20.13 C ATOM 1647 C TRP B 172 110.036 43.064 33.863 1.00 17.64 C ATOM 1648 O TRP B 172 110.722 42.978 34.878 1.00 15.32 O ATOM 1649 CB TRP B 172 107.924 44.012 34.722 1.00 20.22 C ATOM 1650 CG TRP B 172 106.444 44.026 34.840 1.00 21.57 C ATOM 1651 CD1 TRP B 172 105.570 44.716 34.048 1.00 21.38 C ATOM 1652 CD2 TRP B 172 105.649 43.367 35.839 1.00 19.68 C ATOM 1653 NE1 TRP B 172 104.282 44.520 34.484 1.00 22.84 N ATOM 1654 CE2 TRP B 172 104.297 43.697 35.582 1.00 23.98 C ATOM 1655 CE3 TRP B 172 105.945 42.529 36.915 1.00 18.49 C ATOM 1656 CZ2 TRP B 172 103.239 43.212 36.361 1.00 23.00 C ATOM 1657 CZ3 TRP B 172 104.888 42.048 37.702 1.00 23.41 C ATOM 1658 CH2 TRP B 172 103.556 42.394 37.419 1.00 25.30 C ATOM 1659 HE1 TRP B 172 103.430 44.930 34.051 1.00 0.00 H ATOM 1660 H TRP B 172 108.792 41.368 35.500 1.00 0.00 H ATOM 1661 N ALA B 173 110.544 43.398 32.679 1.00 18.17 N ATOM 1662 CA ALA B 173 111.971 43.676 32.528 1.00 20.57 C ATOM 1663 C ALA B 173 112.322 44.999 33.194 1.00 22.59 C ATOM 1664 O ALA B 173 111.507 45.922 33.231 1.00 18.43 O ATOM 1665 CB ALA B 173 112.370 43.719 31.056 1.00 19.14 C ATOM 1666 H ALA B 173 109.918 43.462 31.851 1.00 0.00 H ATOM 1667 N LEU B 174 113.525 45.061 33.752 1.00 16.93 N ATOM 1668 CA LEU B 174 114.108 46.307 34.183 1.00 24.22 C ATOM 1669 C LEU B 174 114.977 46.705 32.997 1.00 33.61 C ATOM 1670 O LEU B 174 115.645 45.864 32.392 1.00 39.38 O ATOM 1671 CB LEU B 174 114.997 46.090 35.405 1.00 23.86 C ATOM 1672 CG LEU B 174 114.312 45.519 36.651 1.00 23.38 C ATOM 1673 CD1 LEU B 174 115.357 45.269 37.741 1.00 22.44 C ATOM 1674 CD2 LEU B 174 113.231 46.465 37.148 1.00 23.09 C ATOM 1675 H LEU B 174 114.065 44.182 33.883 1.00 0.00 H ATOM 1676 N THR B 175 114.966 47.968 32.633 1.00 31.40 N ATOM 1677 CA THR B 175 115.679 48.351 31.414 1.00 43.99 C ATOM 1678 C THR B 175 117.206 48.278 31.570 1.00 38.64 C ATOM 1679 O THR B 175 117.716 48.159 32.684 1.00 45.92 O ATOM 1680 CB THR B 175 115.184 49.714 30.919 1.00 43.55 C ATOM 1681 OG1 THR B 175 115.127 50.626 32.023 1.00 39.25 O ATOM 1682 CG2 THR B 175 113.773 49.547 30.390 1.00 41.72 C ATOM 1683 HG1 THR B 175 114.807 51.507 31.705 1.00 0.00 H ATOM 1684 H THR B 175 114.461 48.680 33.199 1.00 0.00 H ATOM 1685 N GLN B 176 117.933 48.298 30.459 1.00 47.59 N ATOM 1686 CA GLN B 176 119.395 48.419 30.522 1.00 57.31 C ATOM 1687 C GLN B 176 120.021 48.907 29.212 1.00 57.23 C ATOM 1688 O GLN B 176 121.000 48.337 28.716 1.00 54.37 O ATOM 1689 CB GLN B 176 120.064 47.126 31.022 1.00 54.71 C ATOM 1690 CG GLN B 176 119.585 45.828 30.367 1.00 51.88 C ATOM 1691 CD GLN B 176 119.848 44.615 31.254 1.00 49.13 C ATOM 1692 OE1 GLN B 176 119.370 44.549 32.386 1.00 44.12 O ATOM 1693 NE2 GLN B 176 120.633 43.661 30.747 1.00 51.13 N ATOM 1694 OXT GLN B 176 119.551 49.897 28.637 1.00 53.95 O ATOM 1695 HE22 GLN B 176 121.015 43.759 29.785 1.00 0.00 H ATOM 1696 HE21 GLN B 176 120.862 42.820 31.314 1.00 0.00 H ATOM 1697 H GLN B 176 117.462 48.227 29.535 1.00 0.00 H TER 1698 GLN B 176 HETATM 1699 O HOH 1 123.138 19.793 56.151 1.00 44.59 O HETATM 1700 O HOH 2 122.735 32.819 64.564 1.00 51.57 O HETATM 1701 O HOH 3 122.722 26.238 66.990 1.00 51.05 O HETATM 1702 O HOH 4 106.591 35.023 56.032 1.00 50.89 O HETATM 1703 O HOH 5 116.344 44.045 31.499 1.00 34.57 O HETATM 1704 O HOH 6 114.354 32.467 42.463 1.00 26.99 O HETATM 1705 O HOH 7 101.118 49.575 33.057 1.00 28.10 O HETATM 1706 O HOH 8 101.239 29.054 43.921 1.00 40.40 O HETATM 1707 O HOH 9 107.198 26.848 44.098 1.00 46.52 O HETATM 1708 O HOH 10 114.927 53.203 31.925 1.00 42.94 O HETATM 1709 O HOH 11 110.716 30.046 60.277 1.00 32.55 O HETATM 1710 O HOH 12 130.621 38.350 54.619 1.00 25.86 O HETATM 1711 O HOH 13 134.747 38.400 41.146 1.00 17.78 O HETATM 1712 O HOH 14 105.681 54.814 33.164 1.00 25.54 O HETATM 1713 O HOH 15 131.807 30.167 43.989 1.00 31.05 O HETATM 1714 O HOH 16 115.236 29.767 43.090 1.00 46.52 O HETATM 1715 O HOH 17 116.042 38.616 65.605 1.00 47.10 O HETATM 1716 O HOH 18 128.604 26.315 46.842 1.00 32.42 O HETATM 1717 O HOH 19 110.531 37.605 52.668 1.00 30.61 O HETATM 1718 O HOH 20 131.662 29.791 53.426 1.00 30.91 O HETATM 1719 O HOH 21 118.922 22.173 57.743 1.00 44.05 O HETATM 1720 O HOH 22 100.504 45.862 57.416 1.00 59.76 O HETATM 1721 O HOH 23 128.136 32.887 63.441 1.00 50.70 O HETATM 1722 O HOH 24 128.681 45.360 56.770 1.00 33.80 O HETATM 1723 O HOH 25 127.424 44.905 49.978 1.00 25.56 O HETATM 1724 O HOH 26 102.195 47.109 44.741 1.00 32.67 O HETATM 1725 O HOH 27 111.033 34.448 52.454 1.00 33.23 O HETATM 1726 O HOH 28 99.821 55.338 41.544 1.00 44.73 O HETATM 1727 O HOH 29 111.455 31.210 50.693 1.00 36.60 O HETATM 1728 O HOH 30 126.183 35.823 37.300 1.00 33.65 O HETATM 1729 O HOH 31 129.591 32.832 40.220 1.00 32.85 O HETATM 1730 O HOH 32 104.424 26.413 40.395 1.00 51.35 O HETATM 1731 O HOH 33 112.021 37.509 38.580 1.00 23.04 O HETATM 1732 O HOH 34 128.397 40.392 38.550 1.00 35.83 O HETATM 1733 O HOH 35 122.540 42.335 55.266 1.00 39.99 O HETATM 1734 O HOH 36 114.324 38.655 39.217 1.00 18.78 O HETATM 1735 O HOH 37 118.688 37.542 65.542 1.00 44.51 O HETATM 1736 O HOH 38 120.856 42.526 52.916 1.00 37.59 O HETATM 1737 O HOH 39 107.509 47.886 34.570 1.00 18.96 O HETATM 1738 O HOH 40 109.911 46.895 31.187 1.00 23.71 O HETATM 1739 O HOH 41 99.027 52.352 33.450 1.00 49.03 O HETATM 1740 O HOH 42 120.719 43.866 34.714 1.00 33.77 O HETATM 1741 O HOH 43 112.912 37.590 50.969 1.00 23.71 O HETATM 1742 O HOH 44 102.179 47.550 41.962 1.00 29.58 O HETATM 1743 O HOH 45 118.149 51.158 30.697 1.00 52.56 O HETATM 1744 O HOH 46 114.139 32.469 50.032 1.00 23.40 O HETATM 1745 O HOH 47 101.427 45.439 33.643 1.00 30.43 O HETATM 1746 O HOH 48 117.020 38.359 38.849 1.00 18.96 O HETATM 1747 O HOH 49 133.044 28.191 55.079 1.00 42.68 O HETATM 1748 O HOH 50 125.679 49.454 46.839 1.00 42.06 O HETATM 1749 O HOH 51 111.824 37.563 58.258 1.00 39.36 O HETATM 1750 O HOH 52 118.660 50.739 38.901 1.00 36.42 O HETATM 1751 O HOH 53 111.360 48.904 34.258 1.00 27.50 O HETATM 1752 O HOH 54 113.720 40.642 51.098 1.00 24.02 O HETATM 1753 O HOH 55 124.618 37.820 35.614 1.00 29.36 O HETATM 1754 O HOH 56 122.545 50.094 37.145 1.00 44.04 O HETATM 1755 O HOH 57 123.108 37.279 62.156 1.00 39.76 O HETATM 1756 O HOH 58 113.308 34.731 51.013 1.00 23.46 O HETATM 1757 O HOH 59 102.431 56.061 37.609 1.00 39.53 O HETATM 1758 O HOH 60 132.904 29.456 47.437 1.00 30.70 O HETATM 1759 O HOH 61 105.528 46.184 57.519 1.00 54.82 O HETATM 1760 O HOH 62 111.739 35.667 55.629 1.00 28.34 O HETATM 1761 O HOH 63 109.965 31.203 38.334 1.00 35.99 O HETATM 1762 O HOH 64 120.558 22.566 55.434 1.00 46.81 O HETATM 1763 O HOH 65 124.911 25.253 36.363 1.00 49.32 O HETATM 1764 O HOH 66 97.078 32.151 46.354 1.00 43.11 O HETATM 1765 O HOH 67 108.322 29.947 34.705 1.00 23.30 O HETATM 1766 O HOH 68 103.076 51.154 31.039 1.00 32.97 O HETATM 1767 O HOH 69 99.958 42.445 32.317 1.00 44.83 O HETATM 1768 O HOH 70 105.987 44.421 52.064 1.00 30.00 O HETATM 1769 O HOH 71 87.513 41.142 41.933 1.00 47.30 O HETATM 1770 O HOH 72 97.277 31.011 39.860 1.00 55.35 O HETATM 1771 O HOH 73 100.234 31.403 36.104 1.00 44.95 O HETATM 1772 O HOH 74 126.923 19.807 49.320 1.00 43.47 O HETATM 1773 O HOH 75 103.360 55.077 40.713 1.00 29.42 O HETATM 1774 O HOH 76 122.311 30.081 35.527 1.00 33.87 O HETATM 1775 O HOH 77 94.647 55.001 36.056 1.00 50.83 O HETATM 1776 O HOH 78 130.105 28.449 46.106 1.00 30.87 O HETATM 1777 O HOH 79 98.278 50.783 53.753 1.00 51.54 O HETATM 1778 O HOH 80 122.828 25.479 36.957 1.00 46.40 O HETATM 1779 O HOH 81 128.679 36.955 56.653 1.00 27.23 O HETATM 1780 O HOH 82 117.027 46.444 27.770 1.00 41.39 O HETATM 1781 O HOH 83 105.700 56.906 45.156 1.00 41.20 O HETATM 1782 O HOH 84 129.502 35.608 38.004 1.00 37.32 O HETATM 1783 O HOH 85 100.107 50.883 54.521 1.00 55.74 O HETATM 1784 O HOH 86 130.155 25.288 49.016 1.00 38.25 O HETATM 1785 O HOH 87 107.279 46.568 31.958 1.00 25.43 O HETATM 1786 O HOH 88 113.016 53.474 30.319 1.00 41.79 O HETATM 1787 O HOH 89 130.085 37.467 37.627 1.00 39.35 O HETATM 1788 O HOH 90 110.772 49.502 31.107 1.00 36.34 O HETATM 1789 O HOH 91 112.422 30.627 38.663 1.00 38.51 O HETATM 1790 O HOH 92 119.819 42.154 55.949 1.00 45.36 O HETATM 1791 O HOH 93 111.568 51.280 28.852 1.00 33.30 O HETATM 1792 O HOH 94 133.584 35.438 35.768 1.00 37.67 O HETATM 1793 PG ATP A 95 105.212 32.075 55.633 1.00 0.19 P HETATM 1794 O1G ATP A 95 103.872 31.404 55.412 1.00 -0.61 O HETATM 1795 O2G ATP A 95 106.152 31.324 56.554 1.00 -0.61 O HETATM 1796 O3G ATP A 95 105.099 33.556 55.935 1.00 -0.61 O HETATM 1797 O3B ATP A 95 105.939 32.056 54.186 1.00 -0.15 O HETATM 1798 PB ATP A 95 105.665 31.022 52.968 1.00 0.36 P HETATM 1799 O1B ATP A 95 107.031 30.561 52.508 1.00 -0.57 O HETATM 1800 O2B ATP A 95 104.607 29.986 53.310 1.00 -0.57 O HETATM 1801 O3A ATP A 95 105.130 32.011 51.798 1.00 -0.12 O HETATM 1802 PA ATP A 95 104.099 33.254 51.979 1.00 0.33 P HETATM 1803 O1A ATP A 95 103.065 33.200 50.894 1.00 -0.57 O HETATM 1804 O2A ATP A 95 103.615 33.390 53.411 1.00 -0.57 O HETATM 1805 O5' ATP A 95 105.058 34.512 51.698 1.00 -0.24 O HETATM 1806 C5' ATP A 95 105.597 34.765 50.411 1.00 0.11 C HETATM 1807 C4' ATP A 95 106.769 35.721 50.594 1.00 0.12 C HETATM 1808 O4' ATP A 95 106.311 36.906 51.255 1.00 -0.34 O HETATM 1809 C1' ATP A 95 107.020 37.088 52.491 1.00 0.20 C HETATM 1810 C2' ATP A 95 107.611 35.729 52.851 1.00 0.14 C HETATM 1811 C3' ATP A 95 107.855 35.123 51.474 1.00 0.11 C HETATM 1812 O3' ATP A 95 109.101 35.596 50.958 1.00 -0.39 O HETATM 1813 H5 ATP A 95 109.813 35.245 51.481 1.00 0.21 H HETATM 1814 H4 ATP A 95 107.820 34.024 51.498 1.00 0.06 H HETATM 1815 O2' ATP A 95 108.800 35.826 53.656 1.00 -0.38 O HETATM 1816 H7 ATP A 95 109.437 36.374 53.213 1.00 0.21 H HETATM 1817 H6 ATP A 95 106.875 35.128 53.405 1.00 0.07 H HETATM 1818 N9 ATP A 95 106.049 37.605 53.484 1.00 -0.19 N HETATM 1819 C8 ATP A 95 104.983 36.953 54.011 1.00 0.11 C HETATM 1820 N7 ATP A 95 104.304 37.756 54.878 1.00 -0.30 N HETATM 1821 C5 ATP A 95 104.943 38.947 54.911 1.00 0.10 C HETATM 1822 C6 ATP A 95 104.760 40.248 55.609 1.00 0.13 C HETATM 1823 N6 ATP A 95 103.735 40.443 56.479 1.00 -0.32 N HETATM 1824 H10 ATP A 95 103.626 41.352 56.952 1.00 0.18 H HETATM 1825 H11 ATP A 95 103.066 39.682 56.666 1.00 0.18 H HETATM 1826 N1 ATP A 95 105.663 41.229 55.349 1.00 -0.27 N HETATM 1827 C2 ATP A 95 106.692 41.052 54.487 1.00 0.05 C HETATM 1828 N3 ATP A 95 106.917 39.906 53.814 1.00 -0.27 N HETATM 1829 C4 ATP A 95 106.090 38.841 53.985 1.00 0.16 C HETATM 1830 H12 ATP A 95 107.374 41.880 54.329 1.00 0.10 H HETATM 1831 H9 ATP A 95 104.707 35.927 53.774 1.00 0.13 H HETATM 1832 H8 ATP A 95 107.834 37.818 52.368 1.00 0.10 H HETATM 1833 H3 ATP A 95 107.188 35.973 49.608 1.00 0.07 H HETATM 1834 H1 ATP A 95 104.833 35.224 49.766 1.00 0.06 H HETATM 1835 H2 ATP A 95 105.944 33.825 49.956 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1122 1123 1138 1139 1140 CONECT 1138 1122 CONECT 1139 1122 CONECT 1140 1122 CONECT 1793 1794 1795 1796 1797 CONECT 1794 1793 CONECT 1795 1793 CONECT 1796 1793 CONECT 1797 1793 1798 CONECT 1798 1797 1799 1800 1801 CONECT 1799 1798 CONECT 1800 1798 CONECT 1801 1798 1802 CONECT 1802 1801 1803 1804 1805 CONECT 1803 1802 CONECT 1804 1802 CONECT 1805 1802 1806 CONECT 1806 1805 1807 1834 1835 CONECT 1807 1806 1808 1811 1833 CONECT 1808 1807 1809 CONECT 1809 1808 1810 1818 1832 CONECT 1810 1809 1811 1815 1817 CONECT 1811 1807 1810 1812 1814 CONECT 1812 1811 1813 CONECT 1813 1812 CONECT 1814 1811 CONECT 1815 1810 1816 CONECT 1816 1815 CONECT 1817 1810 CONECT 1818 1809 1819 1829 CONECT 1819 1818 1820 1831 CONECT 1820 1819 1821 CONECT 1821 1820 1822 1829 CONECT 1822 1821 1823 1826 CONECT 1823 1822 1824 1825 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1822 1827 CONECT 1827 1826 1828 1830 CONECT 1828 1827 1829 CONECT 1829 1818 1821 1828 CONECT 1830 1827 CONECT 1831 1819 CONECT 1832 1809 CONECT 1833 1807 CONECT 1834 1806 CONECT 1835 1806 MASTER 0 0 0 0 0 0 0 0 1833 2 51 14 END
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Related entries of code: 5ldk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ldm
RCSB PDB
PDBbind
177aa, >5LDM_1|Chains... at 100%
5ldo
RCSB PDB
PDBbind
177aa, >5LDO_1|Chains... at 100%
5ldp
RCSB PDB
PDBbind
177aa, >5LDP_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1b38
RCSB PDB
PDBbind
ATP
1b39
RCSB PDB
PDBbind
ATP
1gz3
RCSB PDB
PDBbind
ATP
1gz4
RCSB PDB
PDBbind
ATP
1m83
RCSB PDB
PDBbind
ATP
1mau
RCSB PDB
PDBbind
ATP
1maw
RCSB PDB
PDBbind
ATP
1r0x
RCSB PDB
PDBbind
ATP
1r10
RCSB PDB
PDBbind
ATP
1vjc
RCSB PDB
PDBbind
ATP
1vjd
RCSB PDB
PDBbind
ATP
1xsc
RCSB PDB
PDBbind
ATP
1y8p
RCSB PDB
PDBbind
ATP
1yid
RCSB PDB
PDBbind
ATP
2cbz
RCSB PDB
PDBbind
ATP
2e5y
RCSB PDB
PDBbind
ATP
2fgh
RCSB PDB
PDBbind
ATP
2hmu
RCSB PDB
PDBbind
ATP
2hmw
RCSB PDB
PDBbind
ATP
2j9l
RCSB PDB
PDBbind
ATP
2kmx
RCSB PDB
PDBbind
ATP
2p09
RCSB PDB
PDBbind
ATP
2p0x
RCSB PDB
PDBbind
ATP
2pze
RCSB PDB
PDBbind
ATP
2vhq
RCSB PDB
PDBbind
ATP
2vt3
RCSB PDB
PDBbind
ATP
2w5g
RCSB PDB
PDBbind
ATP
2w5i
RCSB PDB
PDBbind
ATP
2xbp
RCSB PDB
PDBbind
ATP
2ych
RCSB PDB
PDBbind
ATP
3b2q
RCSB PDB
PDBbind
ATP
3d2e
RCSB PDB
PDBbind
ATP
3dgl
RCSB PDB
PDBbind
ATP
3dgo
RCSB PDB
PDBbind
ATP
3dnt
RCSB PDB
PDBbind
ATP
3efs
RCSB PDB
PDBbind
ATP
3lf0
RCSB PDB
PDBbind
ATP
3ncq
RCSB PDB
PDBbind
ATP
3qo3
RCSB PDB
PDBbind
ATP
3qx9
RCSB PDB
PDBbind
ATP
3qxc
RCSB PDB
PDBbind
ATP
3ta0
RCSB PDB
PDBbind
ATP
3umo
RCSB PDB
PDBbind
ATP
3ump
RCSB PDB
PDBbind
ATP
4fut
RCSB PDB
PDBbind
ATP
4fvq
RCSB PDB
PDBbind
ATP
4fvr
RCSB PDB
PDBbind
ATP
4jn4
RCSB PDB
PDBbind
ATP
4jne
RCSB PDB
PDBbind
ATP
4k8o
RCSB PDB
PDBbind
ATP
4ozn
RCSB PDB
PDBbind
ATP
4usw
RCSB PDB
PDBbind
ATP
4wz6
RCSB PDB
PDBbind
ATP
4yb7
RCSB PDB
PDBbind
ATP
5d6j
RCSB PDB
PDBbind
ATP
5eou
RCSB PDB
PDBbind
ATP
5f1c
RCSB PDB
PDBbind
ATP
5f1x
RCSB PDB
PDBbind
ATP
5ldp
RCSB PDB
PDBbind
ATP
5svk
RCSB PDB
PDBbind
ATP
5svl
RCSB PDB
PDBbind
ATP
5tgc
RCSB PDB
PDBbind
ATP
5v2l
RCSB PDB
PDBbind
ATP
5wrs
RCSB PDB
PDBbind
ATP
5x9h
RCSB PDB
PDBbind
ATP
5z68
RCSB PDB
PDBbind
ATP
6cvv
RCSB PDB
PDBbind
ATP
6r4s
RCSB PDB
PDBbind
ATP
6ntb
RCSB PDB
PDBbind
ATP
6mm2
RCSB PDB
PDBbind
ATP
6h78
RCSB PDB
PDBbind
ATP
6h77
RCSB PDB
PDBbind
ATP
6aec
RCSB PDB
PDBbind
ATP
5xvu
RCSB PDB
PDBbind
ATP
Entry Information
PDB ID
5ldk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
RNA 2',3'-cyclic phosphodiesterase
Ligand Name
ATP
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=67uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) PLoS ONE Vol. 12: pp. e0170355-e0170355
Ligand Properties
Formula
C
1
0
H
1
9
N
5
O
1
3
P
3
Molecular Weight
510.205
Exact Mass
510.019
No. of atoms
50
No. of bonds
52
Polar Surface Area
329.38
LOGP Value
-6.07 (
Computed with XLOGP3
)
-2.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OP(O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H22N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-24,29-31H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A140NFI1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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